Molecule

ID:129298

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₀
Molecular Mass
326.29708
Exact Mass
326.1212969
Charge
0
InChI
InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6-,7+,8-,9+,10+,11+,12+/m0/s1
InChIKey
OVVGHDNPYGTYIT-PEPLWKDOSA-N
Canonic Smiles
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O(C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C
Calculated Properties
JChem
Acid pKa
11.249682
H Acceptors
10
H Donor
7
LogD (pH = 5.5)
-3.6564658
LogD (pH = 7.4)
-3.6565263
Log P
-3.6564648
Molar Refractivity
66.793
Polarizability
28.251106
Polar Surface Area
169.3
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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