Molecule

ID:127998

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₄
Molecular Mass
134.1305
Exact Mass
134.0579088
Charge
0
InChI
InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m1/s1
InChIKey
ASJSAQIRZKANQN-UHNVWZDZSA-N
Canonic Smiles
O[C@@H]([C@H](CO)O)CC=O
Isomeric Smiles
O=CC[C@@H](O)[C@@H](O)CO
Calculated Properties
JChem
Acid pKa
11.596483
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.2228675
LogD (pH = 7.4)
-2.2228947
Log P
-2.2228673
Molar Refractivity
30.0449
Polarizability
12.021338
Polar Surface Area
77.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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