Molecule

ID:106156

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₇
Molecular Mass
198.17116
Exact Mass
198.07395279
Charge
0
InChI
InChI=1S/C6H12O6.H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H2/t2-,3-,4+,5-,6+;/m1./s1
InChIKey
OSNSWKAZFASRNG-WNFIKIDCSA-N
Canonic Smiles
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O.O
Isomeric Smiles
O[C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO.O
Calculated Properties
JChem
Acid pKa
11.298101
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.93254
LogD (pH = 7.4)
-2.932594
Log P
-2.9325392
Molar Refractivity
35.9234
Polarizability
15.155883
Polar Surface Area
110.38
Rotatable Bonds
1
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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