Molecule

ID:128727

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
InChIKey
DSCFFEYYQKSRSV-UHFFFAOYSA-N
Canonic Smiles
COC1C(O)C(O)C(C(C1O)O)O
Isomeric Smiles
COC1C(C(C(C(C1O)O)O)O)O
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
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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