Molecule

ID:127087

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₆O₇P₂
Molecular Mass
450.443162
Exact Mass
450.19362675
Charge
0
InChI
InChI=1S/C20H36O7P2/c1-13-17(5,6)23-28(21,24-18(7,8)14-2)27-29(22,25-19(9,10)15-3)26-20(11,12)16-4/h13-16H,1-4H2,5-12H3
InChIKey
WTLAYXVNIWTZJI-UHFFFAOYSA-N
Canonic Smiles
C=CC(OP(=O)(OP(=O)(OC(C=C)(C)C)OC(C=C)(C)C)OC(C=C)(C)C)(C)C
Isomeric Smiles
O=P(OP(=O)(OC(C)(C)C=C)OC(C)(C)C=C)(OC(C)(C)C=C)OC(C)(C)C=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7835464
LogD (pH = 7.4)
5.7835464
Log P
5.7835464
Molar Refractivity
116.3328
Polarizability
46.671852
Polar Surface Area
80.29
Rotatable Bonds
14
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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