disodium;phosphonatoformate

CNa2O5P- — CID 134814447

IUPACdisodium;phosphonatoformate
SMILESO=C([O-])P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH3O5P.2Na/c2-1(3)7(4,5)6;;/h(H,2,3)(H2,4,5,6);;/q;2*+1/p-3
InChIKeyNBIIDLGNZMCRLU-UHFFFAOYSA-K
MW168.96 g/mol
LogP-8.75
Rot. Bonds1

About disodium;phosphonatoformate

disodium;phosphonatoformate (PubChem CID 134814447) has the molecular formula CNa2O5P- and a molecular weight of 168.96 g/mol. Its IUPAC name is disodium;phosphonatoformate.

Molecular Properties

Compound Namedisodium;phosphonatoformate
PubChem CID134814447
Molecular FormulaCNa2O5P-
Molecular Weight168.96 g/mol
Exact Mass168.93
IUPAC Namedisodium;phosphonatoformate
SMILESO=C([O-])P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH3O5P.2Na/c2-1(3)7(4,5)6;;/h(H,2,3)(H2,4,5,6);;/q;2*+1/p-3
InChIKeyNBIIDLGNZMCRLU-UHFFFAOYSA-K
XLogP-8.75
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.96
LogP ≤ 5-8.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;phosphonatoformate?
The IUPAC name of disodium;phosphonatoformate (CID 134814447) is disodium;phosphonatoformate.
What is the SMILES notation for disodium;phosphonatoformate?
The canonical SMILES for disodium;phosphonatoformate is O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;phosphonatoformate?
The InChIKey is NBIIDLGNZMCRLU-UHFFFAOYSA-K. The full InChI is InChI=1S/CH3O5P.2Na/c2-1(3)7(4,5)6;;/h(H,2,3)(H2,4,5,6);;/q;2*+1/p-3.
What are the key properties of disodium;phosphonatoformate?
disodium;phosphonatoformate has a molecular weight of 168.96 g/mol, XLogP of -8.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phosphonatoformate is sourced from PubChem (CID 134814447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).