Molecule

ID:89310

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₈
Molecular Mass
288.25064
Exact Mass
288.08451747
Charge
0
InChI
InChI=1S/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey
BAKQMOSGYGQJOJ-RMPHRYRLSA-N
Canonic Smiles
CC(=O)O[C@H]1[C@H](OC(=O)C)[C@H]2CO[C@@H]([C@H]1OC(=O)C)O2
Isomeric Smiles
CC(=O)O[C@@H]1[C@H]2CO[C@H](O2)[C@@H](OC(=O)C)[C@H]1OC(=O)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.44745943
LogD (pH = 7.4)
-0.44745943
Log P
-0.44745943
Molar Refractivity
59.8678
Polarizability
25.374388
Polar Surface Area
97.36
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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