Molecule

ID:128006

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₁₁
Molecular Mass
344.31236
Exact Mass
344.13186159
Charge
0
InChI
InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
InChIKey
VQHSOMBJVWLPSR-JVCRWLNRSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O
Isomeric Smiles
O([C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-5.50
LogD (pH = 5.5)
-5.50
Log P
-5.50
Rotatable Bonds
8
H Donor
9
H Acceptors
11
Lipinski's Rule of Five
false
Acid pKa
12.10
Polar Surface Area
200.53
Polarizability
31.94
Molar Refractivity
70.82
LOG S
1.13
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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