Molecule

ID:133608

General Information
Structure
MolImage
Molecular Formula
C₄₇H₇₇O₈P
Molecular Mass
801.083241
Exact Mass
800.53560605
Charge
0
InChI
InChI=1S/C47H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-46(48)51-41-45(53-47(49)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)42-52-56(50,54-43-35-29-27-30-36-43)55-44-37-31-28-32-38-44/h27-32,35-38,45H,3-26,33-34,39-42H2,1-2H3/t45-/m0/s1
InChIKey
XDTOUWPJZGEUQR-GWHBCOKCSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
15.951366
LogD (pH = 7.4)
15.951366
Log P
15.951366
Molar Refractivity
227.0916
Polarizability
91.2151
Polar Surface Area
97.36
Rotatable Bonds
40
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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