Molecule

ID:65918

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₅
Molecular Mass
160.12472
Exact Mass
160.03717336
Charge
0
InChI
InChI=1S/C6H8O5/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m0/s1
InChIKey
MWMZDXCRDIBPCO-IMJSIDKUSA-N
Canonic Smiles
CCOC(=O)[C@H]1O[C@@H]1C(=O)O
Isomeric Smiles
[C@H]1([C@H](O1)C(=O)O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
3.3033304
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3440883
LogD (pH = 7.4)
-3.5897877
Log P
-0.1643943
Molar Refractivity
32.221
Polarizability
13.290021
Polar Surface Area
72.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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