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Compound 20
  CheckMol                        TMF02:r0:m0
MF=C8H12O6 MW=204.18
 14 13  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939    0.7580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054    0.3790   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    2.2610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    3.7640   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008    1.5291   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392    1.5291   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    3.0321   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8947    2.2872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616   -0.1176   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    2.2872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9078    3.7902   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1886    1.5553   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9209   -0.6665   -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
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  6  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  1   3  -1
M  CHG  1  13  -1
M  END

Diethyl-D-Tartarate

₹ 0.00 0.00

Chemical Name - Diethyl-D-Tartarate
Mol Weight - 204.177
Smiles - CC[C@]([C@@](CC)(C([O-])=O)O)(C([O-])=O)O

Property Name	Property Value
Mol Name	Diethyl-D-Tartarate
Molweight	204.177
Monoisotopic Mass	204.06339
Clogp	-5.1922
Clogs	-0.434
H Acceptors	6
H Donors	2
Total Surface Area	149.62
Relative Psa	0.5403
Polar Surface Area	120.72
Druglikeness	2.4187
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.42857
Molecular Flexibility	0.8578
Molecular Complexity	0.82
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	2
Rotatable Bonds	5
Sp3 Atoms	10
Symmetric Atoms	7
Acidic Oxygens	2
Smiles	CC[C@]([C@@](CC)(C([O-])=O)O)(C([O-])=O)O
InChIKey
InChI	C8H12O6

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Diethyl-D-Tartarate