Molecule

ID:75009

General Information
Structure
Molecular Formula
C₁₆H₂₈O₆P₂
Molecular Mass
378.337442
Exact Mass
378.13611188
Charge
0
InChI
InChI=1S/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-9-11-16(12-10-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey
XTKQUBKFKSHRPS-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1ccc(cc1)CP(=O)(OCC)OCC)OCC
Isomeric Smiles
P(=O)(OCC)(Cc1ccc(cc1)CP(=O)(OCC)OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7111323
LogD (pH = 7.4)
2.7111323
Log P
2.7111323
Molar Refractivity
94.6944
Polarizability
38.139526
Polar Surface Area
71.06
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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