Molecule

ID:75011

General Information
Structure
MolImage
Molecular Formula
C₁₃H₃₀O₆P₂
Molecular Mass
344.321222
Exact Mass
344.15176194
Charge
0
InChI
InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
InChIKey
ODTQUKVFOLFLIQ-UHFFFAOYSA-N
Canonic Smiles
CC(OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C)C
Isomeric Smiles
P(=O)(OC(C)C)(OC(C)C)CP(=O)(OC(C)C)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8761985
LogD (pH = 7.4)
2.8761985
Log P
2.8761985
Molar Refractivity
82.4773
Polarizability
34.123604
Polar Surface Area
71.06
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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