Molecule

ID:128653

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄O₉
Molecular Mass
314.24486
Exact Mass
314.06378203
Charge
0
InChI
InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1
InChIKey
GDYGAIKPBLFCKR-YWQRSDGBSA-N
Canonic Smiles
OC[C@@H]1O[C@H]2[C@H]([C@@H]([C@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)O
Isomeric Smiles
O=C1O[C@@H]2[C@H](O[C@@H](CO)[C@H](O)[C@H]2O)c2c(O)c(O)c(O)cc12
Calculated Properties
JChem
Acid pKa
7.8255973
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-1.3747473
LogD (pH = 7.4)
-1.509975
Log P
-1.372717
Molar Refractivity
68.883
Polarizability
27.221153
Polar Surface Area
156.91
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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