Molecule

ID:135205

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
165.14913484
Exact Mass
165.07182832
Charge
0
InChI
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1/i2+1
InChIKey
PNNNRSAQSRJVSB-ZAHPDWKSSA-N
Canonic Smiles
O=[13CH][C@H]([C@@H]([C@@H]([C@@H](O)C)O)O)O
Isomeric Smiles
C[C@@H]([C@H]([C@H]([C@@H]([13CH]=O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.839088
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.5214508
LogD (pH = 7.4)
-2.5214665
Log P
-2.5214505
Molar Refractivity
35.8019
Polarizability
14.534815
Polar Surface Area
97.99
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation