Molecule

ID:106047

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₁₆
Molecular Mass
504.43708
Exact Mass
504.16903494
Charge
0
InChI
InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15+,16-,17-,18+/m1/s1
InChIKey
FVVCFHXLWDDRHG-KKNDGLDKSA-N
Canonic Smiles
OC[C@H]1O[C@H](O[C@]2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Isomeric Smiles
O1[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CO)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-6.30
LogD (pH = 5.5)
-6.30
Log P
-6.30
Rotatable Bonds
8
H Donor
11
H Acceptors
16
Lipinski's Rule of Five
false
Acid pKa
11.71
Polar Surface Area
268.68
Polarizability
46.35
Molar Refractivity
101.19
LOG S
0.78
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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