Molecule

ID:134342

General Information
Structure
MolImage
Molecular Formula
C₃₈H₇₄NaO₁₀P
Molecular Mass
744.951691
Exact Mass
744.49172948
Charge
0
InChI
InChI=1S/C38H75O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);/q;+1/p-1/t35?,36-;/m1./s1
InChIKey
LDWIWSHBGAIIMV-ODZMYOIVSA-M
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC(CO)O)[O-].[Na+]
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]
Calculated Properties
JChem
Acid pKa
1.8907738
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
8.5852375
LogD (pH = 7.4)
8.560971
Log P
10.937052
Molar Refractivity
194.1872
Polarizability
78.51183
Polar Surface Area
151.65
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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