Molecule

ID:102720

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₆
Molecular Mass
182.17176
Exact Mass
182.07903817
Charge
0
InChI
InChI=1S/C6H12O5.H2O/c1-3(8)5(10)6(11)4(9)2-7;/h2-6,8-11H,1H3;1H2/t3-,4-,5-,6-;/m0./s1
InChIKey
CBDCDOTZPYZPRO-DEZHIRTDSA-N
Canonic Smiles
O=C[C@@H]([C@@H]([C@H]([C@@H](O)C)O)O)O.O
Isomeric Smiles
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C.O
Calculated Properties
JChem
Acid pKa
12.305727
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.5214508
LogD (pH = 7.4)
-2.521456
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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