Molecule

ID:133013

General Information
Structure
MolImage
Molecular Formula
C₃₈H₇₄NO₁₀P
Molecular Mass
735.968621
Exact Mass
735.5050342
Charge
0
InChI
InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34?,35-/m0/s1
InChIKey
KLFKZIQAIPDJCW-HTIIIDOHSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC[C@@H](C(=O)O)N)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
1.468034
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
6.7876263
LogD (pH = 7.4)
6.5121617
Log P
9.493506
Molar Refractivity
196.8338
Polarizability
79.43174
Polar Surface Area
171.68
Rotatable Bonds
40
Lipinski's Rule of Five
false
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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