Molecule

ID:106966

General Information
Structure
Molecular Formula
H₁₆N₄O₇PW
Molecular Mass
398.963401
Exact Mass
399.0265915
Charge
0
InChI
InChI=1S/4H3N.HO3P.4O.W/c;;;;1-4(2)3;;;;;/h4*1H3;(H,1,2,3);;;;;/q;;;;;;;3*-1/p+3
InChIKey
IYQSZCPAPLJPEA-UHFFFAOYSA-Q
Canonic Smiles
[O-][W](=O)(=O)(P(=O)([O-])[O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
Isomeric Smiles
[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[W](=O)(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.5387293
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
-5.654707
LogD (pH = 7.4)
-7.108596
Log P
-2.8682
Molar Refractivity
15.615499
Polarizability
15.324336
Polar Surface Area
143.45
Rotatable Bonds
1
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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