Molecule

ID:119245

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₆
Molecular Mass
176.12412
Exact Mass
176.03208798
Charge
0
InChI
InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2?,3-,4-,5?/m1/s1
InChIKey
OGLCQHRZUSEXNB-IEPORWDDSA-N
Canonic Smiles
O[C@H]1C(O)O[C@H]2[C@@H]1OC(=O)C2O
Isomeric Smiles
[C@@H]12[C@H](OC([C@@H]2O)O)C(C(=O)O1)O
Calculated Properties
JChem
Acid pKa
11.14436
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.9477946
LogD (pH = 7.4)
-1.9478717
Log P
-1.9477936
Molar Refractivity
32.2986
Polarizability
14.018171
Polar Surface Area
96.22
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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