Molecule

ID:126210

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₆
Molecular Mass
194.18246
Exact Mass
194.07903817
Charge
0
InChI
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m1/s1
InChIKey
DSCFFEYYQKSRSV-AGZHHQKVSA-N
Canonic Smiles
CO[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OC)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
12.360891
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.138883
LogD (pH = 7.4)
-3.138888
Log P
-3.138883
Molar Refractivity
40.5262
Polarizability
16.951847
Polar Surface Area
110.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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