Molecule

ID:136460

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₁
Molecular Mass
354.20833806
Exact Mass
354.15646958
Charge
0
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
InChIKey
HDTRYLNUVZCQOY-OSKVYJSUSA-N
Canonic Smiles
O[13CH2][13C@H]1O[13C@H](O[13C@H]2O[13C@H]([13CH2]O)[13C@H]([13C@@H]([13C@H]2O)O)O)[13C@@H]([13C@H]([13C@@H]1O)O)O
Isomeric Smiles
[13CH2]([13C@@H]1[13C@H]([13C@@H]([13C@H]([13C@H](O1)O[13C@@H]1[13C@@H]([13C@H]([13C@@H]([13C@H](O1)[13CH2]O)O)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.905896
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.703375
LogD (pH = 7.4)
-4.703388
Log P
-4.703375
Molar Refractivity
68.3367
Polarizability
28.969793
Polar Surface Area
189.53
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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