a pyrophosphate group (PAMDB110286)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110286
Identification
Name: a pyrophosphate group
Description:A divalent inorganic anion obtained by removal of both protons from diphosphonic acid.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: HO7P2
Average Molecular Weight: 174.95
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:diphosphonate
Traditional IUPAC Name: Not Available
SMILES:[O-]P(OP(=O)([O-])O)(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compounds containing a pyrophosphate as its largest oxoanion.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Non-metal oxoanionic compounds
Sub ClassNon-metal pyrophosphates
Direct Parent Non-metal pyrophosphates
Alternative Parents
Substituents
  • Non-metal pyrophosphate
  • Inorganic oxide
Molecular Framework Not Available
External Descriptors
  • trivalent inorganic anion, diphosphate ion (CHEBI:33019)
  • a simple group (PYROPHOSPHATE-GROUP)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass174.9513ChemAxon
logP0.5030ChemAxon
H-bond acceptors7ChemAxon
H-bond donors1ChemAxon
Rotatable bonds2ChemAxon
PSA152.4000ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity20.5763ChemAxon
Atoms10ChemAxon
Rings0ChemAxon
Heavy atoms9ChemAxon
Hydrogen atoms1ChemAxon
Heteroatoms9ChemAxon
N/O atoms7ChemAxon
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
    ChEBI29262