Molecule

ID:125372

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₆
Molecular Mass
190.1507
Exact Mass
190.04773804
Charge
0
InChI
InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1
InChIKey
WVMWZWGZRAXUBK-SYTVJDICSA-N
Canonic Smiles
O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(=O)O
Isomeric Smiles
O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.48
LogD (pH = 5.5)
-4.23
Log P
-2.06
Rotatable Bonds
1
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
3.30
Polar Surface Area
115.06
Polarizability
16.23
Molar Refractivity
38.70
LOG S
-0.14
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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