Molecule

ID:127490

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6?/m0/s1
InChIKey
CJJCPDZKQKUXSS-JMSAOHGTSA-N
Canonic Smiles
OCC1(O)O[C@H]([C@H]([C@H]1O)O)C
Isomeric Smiles
O[C@H]1[C@@H](O)C(O)(CO)O[C@H]1C
Calculated Properties
JChem
Acid pKa
10.286542
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.7110964
LogD (pH = 7.4)
-1.7116524
Log P
-1.7110894
Molar Refractivity
34.8171
Polarizability
14.43744
Polar Surface Area
90.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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