Molecule

ID:130812

General Information
Structure
MolImage
Molecular Formula
H₄NaO₅P
Molecular Mass
137.992291
Exact Mass
137.96940414
Charge
0
InChI
InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1
InChIKey
BBMHARZCALWXSL-UHFFFAOYSA-M
Canonic Smiles
[O-]P(=O)(O)O.[Na+].O
Isomeric Smiles
O.OP(=O)(O)[O-].[Na+]
Calculated Properties
JChem
LogD (pH = 7.4)
-3.97
LogD (pH = 5.5)
-3.39
Log P
-1.02
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.80
Polar Surface Area
80.59
Polarizability
5.53
Molar Refractivity
13.53
LOG S
2.41
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