Chem Glycerine Tri Stearate

Compound 94
  CheckMol                        TMF02:r0:m0
MF=C57H110O6 MW=891.49
 63 62  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -0.7336   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.0237   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778   -2.2244   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    1.5381   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9698   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8572    2.2954   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.2954   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4606   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469    1.5618   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592    1.5618   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607   -5.2060   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4365    2.3190   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725    2.3190   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725   -6.6968   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4247    3.8335   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262    1.5855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3843    3.8335   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858    1.5855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858   -7.4304   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0159    2.3427   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9992    2.3427   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6977   -8.9212   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3056    1.6091   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    1.6091   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0110   -9.6666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5952    2.3664   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6258    2.3664   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0228  -11.1574   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8849    1.6328   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9392    1.6328   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3362  -11.9029   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1746    2.3900   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2525    2.3900   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480  -13.3937   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4642    1.6565   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5659    1.6565   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6613  -14.1272   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7539    2.4137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8792    2.4137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6732  -15.6181   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0436    1.6801   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1925    1.6801   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9865  -16.3635   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3333    2.4374   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5059    2.4374   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9983  -17.8543   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6229    1.7038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8192    1.7038   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3117  -18.5879   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9126    2.4610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1325    2.4610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3235  -20.0787   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2023    1.7275   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4459    1.7275   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4920    2.4847   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7592    2.4847   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7816    1.7511   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0725    1.7511   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0713    2.5084   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3859    2.5084   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3610    1.7748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.6992    1.7748   -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
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 44  1  0  0  0  0
 42 45  1  0  0  0  0
 43 46  1  0  0  0  0
 44 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  1  0  0  0  0
 49 52  1  0  0  0  0
 50 53  1  0  0  0  0
 51 54  1  0  0  0  0
 52 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 57 59  1  0  0  0  0
 58 60  1  0  0  0  0
 59 61  1  0  0  0  0
 60 62  1  0  0  0  0
 61 63  1  0  0  0  0
M  END

Glycerine Tri Stearate

₹ 0.00 0.00

Chemical Name - Glycerine Tri Stearate
Mol Weight - 891.494
Smiles - CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)=O

Property Name	Property Value
Mol Name	Glycerine Tri Stearate
Molweight	891.494
Monoisotopic Mass	890.83024
Clogp	21.821
Clogs	-14.031
H Acceptors	6
Total Surface Area	834.03
Relative Psa	0.082875
Polar Surface Area	78.9
Druglikeness	-26.013
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.65079
Molecular Flexibility	0.57823
Molecular Complexity	0.63799
Fragments	1
Non H Atoms	63
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	56
Sp3 Atoms	57
Symmetric Atoms	21
Smiles	CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)=O
InChIKey	InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/
InChI	DCXXMTOCNZCJGO-UHFFFAOYSA-N

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Glycerine Tri Stearate