Molecule

ID:1672

General Information
Structure
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Molecular Formula
C₅H₁₂O₅
Molecular Mass
152.14578
Exact Mass
152.06847348
Charge
0
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
InChIKey
HEBKCHPVOIAQTA-SCDXWVJYSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@H](CO)O)O)O
Isomeric Smiles
OC[C@H](O)[C@@H](O)[C@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-3.10
LogD (pH = 5.5)
-3.10
Log P
-3.10
Rotatable Bonds
4
H Donor
5
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.76
Polar Surface Area
101.15
Polarizability
14.23
Molar Refractivity
32.44
LOG S
1.13
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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