Molecule
ID:53034
General Information
Molecular Formula
C₅H₁₀O₄
Molecular Mass
134.1305
Exact Mass
134.0579088
Charge
0
InChI
InChI=1S/C5H10O4/c1-9-5(8)2-4(7)3-6/h4,6-7H,2-3H2,1H3/t4-/m0/s1
InChIKey
KCKWOJWPEXHLOQ-BYPYZUCNSA-N
Canonic Smiles
COC(=O)C[C@@H](CO)O
Isomeric Smiles
C(=O)(C[C@@H](CO)O)OC
Calculated Properties
JChem
Acid pKa
14.084326
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2880219
LogD (pH = 7.4)
-1.288022
Log P
-1.2880219
Molar Refractivity
29.7769
Polarizability
12.086805
Polar Surface Area
66.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...