Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110291
Identification
Name: x-pyrophosphate-group
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: H2O5P2
Average Molecular Weight: 141.94
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:[O-]P(OP([O-])=O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as non-metal phosphonates. These are inorganic non-metallic compounds containing a phosphonate as its largest oxoanion.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Non-metal oxoanionic compounds
Sub ClassNon-metal phosphonates
Direct Parent Non-metal phosphonates
Alternative Parents
Substituents
  • Non-metal phosphonate
  • Inorganic oxide
Molecular Framework Not Available
External Descriptors
  • divalent inorganic anion, phosphorus oxoanion (CHEBI:29262)
  • a simple group (X-PYROPHOSPHATE-GROUP)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass143.9605ChemAxon
logP0.6434ChemAxon
H-bond acceptors5ChemAxon
H-bond donors0ChemAxon
Rotatable bonds2ChemAxon
PSA136.4300ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity20.4610ChemAxon
Atoms9ChemAxon
Rings0ChemAxon
Heavy atoms7ChemAxon
Hydrogen atoms2ChemAxon
Heteroatoms7ChemAxon
N/O atoms5ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycX-PYROPHOSPHATE-GROUP