Molecule

ID:3609

General Information
Structure
MolImage
Molecular Formula
C₃₉H₇₅O₁₀P
Molecular Mass
734.980561
Exact Mass
734.50978523
Charge
0
InChI
InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35-,36+,37+/m1/s1
InChIKey
JWIOKCJPLNKYBQ-MDOFDWFASA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC[C@@H]1C[C@H]1CCCCCC)CO[P@](=O)(OC[C@H](CO)O)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@H]1CCCCCC
Calculated Properties
JChem
Acid pKa
1.8907738
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
8.250981
LogD (pH = 7.4)
8.226714
Log P
10.602796
Molar Refractivity
198.0029
Polarizability
79.73888
Polar Surface Area
148.82
Rotatable Bonds
39
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
7.7
LOG S
-6.76
Solubility (Water)
1.27e-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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