Molecule

ID:119009

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₆
Molecular Mass
178.14
Exact Mass
178.04773804
Charge
0
InChI
InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3
InChIKey
PVRATXCXJDHJJN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)[C@@H]([C@H](C(=O)OC)O)O
Isomeric Smiles
[C@@H]([C@H](C(=O)OC)O)(C(=O)OC)O
Calculated Properties
JChem
Acid pKa
11.18821
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5370127
LogD (pH = 7.4)
-1.5370824
Log P
-1.5370117
Molar Refractivity
35.7516
Polarizability
14.854973
Polar Surface Area
93.06
Rotatable Bonds
5
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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