Molecule

ID:75012

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆O₆P₂
Molecular Mass
246.135162
Exact Mass
246.04221149
Charge
0
InChI
InChI=1S/C6H16O6P2/c1-9-13(7,10-2)5-6-14(8,11-3)12-4/h5-6H2,1-4H3
InChIKey
YYZHSSQTEZXNGC-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CCP(=O)(OC)OC)OC
Isomeric Smiles
P(=O)(OC)(OC)CCP(=O)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.49023542
LogD (pH = 7.4)
-0.49023542
Log P
-0.49023542
Molar Refractivity
50.5638
Polarizability
21.412443
Polar Surface Area
71.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
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
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References
Bioactivity
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