Molecule

ID:104008

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₅
Molecular Mass
164.15648
Exact Mass
164.06847348
Charge
0
InChI
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKey
ZBDGHWFPLXXWRD-MOJAZDJTSA-N
Canonic Smiles
CO[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@@H]1[C@@H](O)[C@H](O)CO[C@@H]1OC
Calculated Properties
JChem
Acid pKa
12.24718
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.6590779
LogD (pH = 7.4)
-1.659084
Log P
-1.6590778
Molar Refractivity
34.712097
Polarizability
14.50232
Polar Surface Area
79.15
Rotatable Bonds
1
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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