Molecule

ID:129887

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₅
Molecular Mass
136.10332
Exact Mass
136.03717336
Charge
0
InChI
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1
InChIKey
JPIJQSOTBSSVTP-STHAYSLISA-N
Canonic Smiles
OC[C@@H]([C@H](C(=O)O)O)O
Isomeric Smiles
OC(=O)[C@H](O)[C@@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-5.55
LogD (pH = 5.5)
-4.24
Log P
-2.15
Rotatable Bonds
3
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.40
Polar Surface Area
97.99
Polarizability
11.61
Molar Refractivity
26.35
LOG S
0.75
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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