Molecule

ID:2670

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5-,6-/m1/s1
InChIKey
PNNNRSAQSRJVSB-JGWLITMVSA-N
Canonic Smiles
O=C[C@@H]([C@H]([C@@H]([C@H](O)C)O)O)O
Isomeric Smiles
C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.52
LogD (pH = 5.5)
-2.52
Log P
-2.52
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.31
Polar Surface Area
97.99
Polarizability
15.23
Molar Refractivity
35.80
LOG S
0.58
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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