Molecule

ID:133552

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₁₅
Molecular Mass
488.43768
Exact Mass
488.17412032
Charge
0
InChI
InChI=1S/C18H32O15/c1-4-7(21)10(24)12(26)17(29-4)33-15-14(9(23)6(3-20)30-16(15)28)32-18-13(27)11(25)8(22)5(2-19)31-18/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10+,11-,12-,13+,14-,15+,16?,17-,18+/m0/s1
InChIKey
XNBZPOHDTUWNMW-OUUCXATCSA-N
Canonic Smiles
OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.43
LogD (pH = 5.5)
-5.43
Log P
-5.43
Rotatable Bonds
6
H Donor
10
H Acceptors
15
Lipinski's Rule of Five
false
Acid pKa
11.23
Polar Surface Area
248.45
Polarizability
45.52
Molar Refractivity
99.21
LOG S
0.21
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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