Molecule

ID:2974

General Information
Structure
Molecular Formula
C₁₂H₂₂O₁₀
Molecular Mass
326.29708
Exact Mass
326.1212969
Charge
0
InChI
InChI=1S/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6+,7-,8-,9+,10-,11+,12+/m0/s1
InChIKey
FDCIWBIYHZDLEG-BBBNVXSOSA-N
Canonic Smiles
OC[C@H]1O[C@H](O)C[C@@H]([C@H]1O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)O
Isomeric Smiles
OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.977921
H Acceptors
10
H Donor
7
LogD (pH = 5.5)
-3.802737
LogD (pH = 7.4)
-3.8027482
Log P
-3.8027368
Molar Refractivity
66.826
Polarizability
28.251106
Polar Surface Area
169.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-3.22
LOG S
0.22
Solubility (Water)
5.45e+02 g/l
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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