Molecule

ID:3582

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₅
Molecular Mass
150.1299
Exact Mass
150.05282342
Charge
0
InChI
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
InChIKey
ZAQJHHRNXZUBTE-UCORVYFPSA-N
Canonic Smiles
OC[C@@H]([C@@H](C(=O)CO)O)O
Isomeric Smiles
OC[C@H](O)[C@H](O)C(=O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.64
LogD (pH = 5.5)
-2.64
Log P
-2.64
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.24
Polar Surface Area
97.99
Polarizability
13.47
Molar Refractivity
31.60
LOG S
0.64
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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