Molecular Identity
Pyrophosphate
phosphonato phosphate
PubChem CID: 644102
Diphosphate(4-) is a diphosphate ion. It is a conjugate base of a diphosphate(3-).
2D Structure
Properties
O7P2-4
Molecular Formula
173.94
Molecular Weight
g/mol
173.9119
Exact Mass
Da
-3.5
XLogP
Drug-like (Lipinski: < 5)
136
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
124
Complexity
SMILES
Canonical SMILES
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]Isomeric SMILES
SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-]Synonyms(20)
Pyrophosphate ion14000-31-8Diphosphate(4-)PyrometaphosphatePyrophosphate(4-) ion(phosphonatooxy)phosphonateX3SSV2V6L3CHEBI:18361PPi cpdRefChem:8710034-amino-6-(2-(4-(4-(2-(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazen-1-yl)-3-methylphenyl)-2-methylphenyl)diazen-1-yl)-5-hydroxynaphthalene-1,3-disulfonic aciddisodium;(hydroxy(oxido)phosphoryl) hydrogen phosphatePyrophosphatediphosphatephosphonato phosphate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pyrophosphate
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