Compound 15
  CheckMol                        TMF02:r0:m0
MF=C77H148O8 MW=1202.01
 85 84  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3162   -2.2029   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -2.2029   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6185   -1.4409   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354   -1.4409   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208   -2.1752   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.1752   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9347   -3.6438   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2232   -2.9095   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2232   -1.4132   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846   -1.4132   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4310   -4.1841   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0431   -4.4889   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5255   -2.1475   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3592   -2.1475   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5394   -5.1123   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8278   -1.3855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9411   -6.5809   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4285   -6.8580   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417   -4.3503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1302   -2.1197   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417    0.1108   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9085   -2.1197   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0040   -8.0495   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1440   -5.0846   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5671    0.8728   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1831   -1.3577   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7294   -8.7838   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1579   -6.5532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5809    2.3691   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4577   -2.0920   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432  -10.2524   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4602   -7.2875   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8833    3.1311   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7324   -1.3300   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0455  -10.9867   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4741   -8.7561   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8971    4.6274   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0070   -2.0643   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0594  -12.4553   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7764   -9.4904   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1994    5.3894   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2816   -1.3023   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3617  -13.1896   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7902  -10.9590   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2133    6.8857   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5562   -2.0366   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3756  -14.6581   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0926  -11.6933   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5156    7.6477   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8308   -1.2746   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6779  -15.3924   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1064  -13.1618   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5295    9.1440   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1055   -2.0089   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6918  -16.8610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4088  -13.8961   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8318    9.9060   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3801   -1.2469   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9941  -17.5953   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4226  -15.3647   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8457   11.4023   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6547   -1.9812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0079  -19.0639   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7249  -16.0990   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1480   12.1643   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3103  -19.7982   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7388  -17.5676   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1618   13.6606   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3241  -21.2668   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0411  -18.3019   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4642   14.4226   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6265  -22.0011   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0550  -19.7705   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4780   15.9189   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6403  -23.4696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3573  -20.5048   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7804   16.6809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9426  -24.2039   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3712  -21.9733   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7942   18.1772   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 22 28  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 40 44  1  0  0  0  0
 41 45  1  0  0  0  0
 42 46  1  0  0  0  0
 43 47  1  0  0  0  0
 44 48  1  0  0  0  0
 45 49  1  0  0  0  0
 46 50  1  0  0  0  0
 47 51  1  0  0  0  0
 48 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 51 55  1  0  0  0  0
 52 56  1  0  0  0  0
 53 57  1  0  0  0  0
 54 58  1  0  0  0  0
 55 59  1  0  0  0  0
 56 60  1  0  0  0  0
 57 61  1  0  0  0  0
 58 62  1  0  0  0  0
 59 63  1  0  0  0  0
 60 64  1  0  0  0  0
 61 65  1  0  0  0  0
 62 66  1  0  0  0  0
 63 67  1  0  0  0  0
 64 68  1  0  0  0  0
 65 69  1  0  0  0  0
 66 70  1  0  0  0  0
 68 71  1  0  0  0  0
 69 72  1  0  0  0  0
 70 73  1  0  0  0  0
 71 74  1  0  0  0  0
 72 75  1  0  0  0  0
 73 76  1  0  0  0  0
 74 77  1  0  0  0  0
 75 78  1  0  0  0  0
 76 79  1  0  0  0  0
 77 80  1  0  0  0  0
 78 81  1  0  0  0  0
 79 82  1  0  0  0  0
 80 83  1  0  0  0  0
 81 84  1  0  0  0  0
 82 85  1  0  0  0  0
M  END

2D Structure

Pentaerythritol Tetra Stearate

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Chemical Name - Pentaerythritol Tetra Stearate
Mol Weight - 1202.01
Smiles - CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Pentaerythritol Tetra Stearate
Molweight	1202.01
Monoisotopic Mass	1201.11742
Clogp	29.529
Clogs	-18.483
H Acceptors	8
Total Surface Area	1119.6
Relative Psa	0.082313
Polar Surface Area	105.2
Druglikeness	-26.153
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.48235
Molecular Flexibility	0.59699
Molecular Complexity	0.68976
Fragments	1
Non H Atoms	85
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	76
Sp3 Atoms	77
Symmetric Atoms	63
Smiles	CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)=O
InChIKey	InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11
InChI	OCKWAZCWKSMKNC-UHFFFAOYSA-N

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1 — Pentaerythritol Tetra Stearate | 2 — Pentaerythritol Tetra Stearate