Molecule

ID:102434

General Information
Structure
Molecular Formula
C₁₅H₁₈O₁₀
Molecular Mass
358.29742
Exact Mass
358.08999678
Charge
0
InChI
InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2
InChIKey
CQYPGSKIFJFVDQ-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(C(C1O)O)O.O
Isomeric Smiles
O.OCC1OC(Oc2cc3c(oc(=O)cc3)cc2O)C(O)C(O)C1O
Calculated Properties
JChem
Acid pKa
8.116544
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-1.0928804
LogD (pH = 7.4)
-1.1675371
Log P
-1.0918391
Molar Refractivity
77.6548
Polarizability
30.738152
Polar Surface Area
145.91
Rotatable Bonds
3
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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