Molecule

ID:132733

General Information
Structure
MolImage
Molecular Formula
C₃₂H₆₂O₁₁S
Molecular Mass
654.89308
Exact Mass
654.4012838
Charge
0
InChI
InChI=1S/C32H62O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-44-20-18-40-31-29(39)27(37)30(24(22-34)42-31)43-32-28(38)26(36)25(35)23(21-33)41-32/h23-39H,2-22H2,1H3
InChIKey
XUKCZBPRMWBCAV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCSCCOC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCSCCOC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.939955
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
4.176203
LogD (pH = 7.4)
4.176191
Log P
4.1762033
Molar Refractivity
168.5506
Polarizability
68.48148
Polar Surface Area
178.53
Rotatable Bonds
25
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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