Molecule

ID:136958

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₇
Molecular Mass
262.25642
Exact Mass
262.10525292
Charge
0
InChI
InChI=1S/C11H18O7/c1-5(13)15-8-7(6(14)4-12)16-10-9(8)17-11(2,3)18-10/h6-10,12,14H,4H2,1-3H3/t6-,7-,8+,9-,10-/m1/s1
InChIKey
MWHWTXULRQTAPZ-HOTMZDKISA-N
Canonic Smiles
OC[C@H]([C@H]1O[C@H]2[C@@H]([C@H]1OC(=O)C)OC(O2)(C)C)O
Isomeric Smiles
CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CO)O)OC(O2)(C)C
Calculated Properties
JChem
Acid pKa
13.315921
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.7889892
LogD (pH = 7.4)
-0.7889897
Log P
-0.7889892
Molar Refractivity
57.2819
Polarizability
23.856537
Polar Surface Area
94.45
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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