Molecule

ID:131109

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₆
Molecular Mass
194.18246
Exact Mass
194.07903817
Charge
0
InChI
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1
InChIKey
HOVAGTYPODGVJG-OVHBTUCOSA-N
Canonic Smiles
CO[C@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
CO[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
12.211393
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-2.2894127
LogD (pH = 7.4)
-2.2894194
Log P
-2.2894127
Molar Refractivity
40.6746
Polarizability
17.016506
Polar Surface Area
99.38
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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