Molecule

ID:3911

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₇
Molecular Mass
196.15528
Exact Mass
196.05830272
Charge
0
InChI
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1
InChIKey
RGHNJXZEOKUKBD-QTBDOELSSA-N
Canonic Smiles
OC[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
Isomeric Smiles
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.82
LogD (pH = 5.5)
-5.51
Log P
-3.41
Rotatable Bonds
5
H Donor
6
H Acceptors
7
Lipinski's Rule of Five
false
Acid pKa
3.39
Polar Surface Area
138.45
Polarizability
16.85
Molar Refractivity
38.27
LOG S
0.81
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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