Molecule

ID:132582

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₁₆
Molecular Mass
504.43708
Exact Mass
504.16903494
Charge
0
InChI
InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16+,17+,18-/m1/s1
InChIKey
OWEGMIWEEQEYGQ-QNHQVNOCSA-N
Canonic Smiles
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.47
LogD (pH = 5.5)
-6.47
Log P
-6.47
Rotatable Bonds
7
H Donor
11
H Acceptors
16
Lipinski's Rule of Five
false
Acid pKa
11.22
Polar Surface Area
268.68
Polarizability
46.99
Molar Refractivity
100.75
LOG S
0.61
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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