Molecule

ID:109043

General Information
Structure
MolImage
Molecular Formula
C₃H₇MgO₆P
Molecular Mass
194.362841
Exact Mass
193.98306627
Charge
0
InChI
InChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
InChIKey
BHJKUVVFSKEBEX-UHFFFAOYSA-L
Canonic Smiles
OCC(COP(=O)([O-])[O-])O.[Mg+2]
Isomeric Smiles
[Mg+2].OCC(O)COP(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.5077547
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.366909
LogD (pH = 7.4)
-5.247459
Log P
-1.9625801
Molar Refractivity
29.1456
Polarizability
12.625253
Polar Surface Area
112.88
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation