Molecule

ID:136291

General Information
Structure
Molecular Formula
C₆H₁₅O₄P
Molecular Mass
188.11059003
Exact Mass
188.09092462
Charge
0
InChI
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
DQWPFSLDHJDLRL-IDEBNGHGSA-N
Canonic Smiles
[13CH3][13CH2]OP(=O)(O[13CH2][13CH3])O[13CH2][13CH3]
Isomeric Smiles
[13CH3][13CH2]OP(=O)(O[13CH2][13CH3])O[13CH2][13CH3]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1842022
LogD (pH = 7.4)
1.1842022
Log P
1.1842022
Molar Refractivity
42.3446
Polarizability
17.253616
Polar Surface Area
44.76
Rotatable Bonds
6
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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