Molecule

ID:126681

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂O₈
Molecular Mass
342.34108
Exact Mass
342.13146766
Charge
0
InChI
InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
SFLMUHDGSQZDOW-IBEHDNSVSA-N
Canonic Smiles
OC/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O(c1c(OC)cc(/C=C/CO)cc1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
Calculated Properties
JChem
Acid pKa
12.199851
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-0.91349304
LogD (pH = 7.4)
-0.91349983
Log P
-0.913493
Molar Refractivity
83.781
Polarizability
33.128002
Polar Surface Area
128.84
Rotatable Bonds
6
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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