Molecule

ID:4238

General Information
Structure
MolImage
Molecular Formula
C₄₀H₇₅O₁₀P
Molecular Mass
746.991261
Exact Mass
746.50978523
Charge
0
InChI
InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1
InChIKey
QGIXWNRQEFVVRM-CTDKCSBDSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)CO[P@](=O)(OC[C@@H](CO)O)O
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](O)CO)OC(=O)CCCCCCC/C=C\CCCCCC
Calculated Properties
JChem
Acid pKa
1.8907738
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
8.750532
LogD (pH = 7.4)
8.726265
Log P
11.102345
Molar Refractivity
206.7441
Polarizability
81.80908
Polar Surface Area
148.82
Rotatable Bonds
40
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
8.02
LOG S
-6.85
Solubility (Water)
1.05e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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