Molecule

ID:1964

General Information
Structure
MolImage
Molecular Formula
H₂O₇P₂--
Molecular Mass
175.959202
Exact Mass
175.92757566
Charge
-2
InChI
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKey
XPPKVPWEQAFLFU-UHFFFAOYSA-L
Canonic Smiles
[O-]P(=O)(OP(=O)(O)[O-])O
Isomeric Smiles
OP(=O)([O-])OP(=O)(O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-6.80
LogD (pH = 5.5)
-5.93
Log P
-1.44
Rotatable Bonds
2
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.70
Polar Surface Area
129.95
Polarizability
9.55
Molar Refractivity
23.28
LOG S
2.81
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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