Molecule

ID:127183

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₅O₄P
Molecular Mass
440.596161
Exact Mass
440.30554655
Charge
0
InChI
InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)
InChIKey
GYBNOAFGEKAZTA-UHFFFAOYSA-N
Canonic Smiles
CC(CCOP(=O)(O)O)CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
Isomeric Smiles
CC(CCOP(=O)(O)O)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Calculated Properties
JChem
Acid pKa
1.8000172
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.231218
LogD (pH = 7.4)
4.5594735
Log P
7.607632
Molar Refractivity
132.7668
Polarizability
50.653027
Polar Surface Area
66.76
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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