disodium;phosphono phosphonatoformate

CH2Na2O8P2 — CID 88694524

IUPACdisodium;phosphono phosphonatoformate
SMILESO=C(OP(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH4O8P2.2Na/c2-1(10(3,4)5)9-11(6,7)8;;/h(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2
InChIKeyFMWCPDHTZBZOCC-UHFFFAOYSA-L
MW249.95 g/mol
LogP-7.86
Rot. Bonds2

About disodium;phosphono phosphonatoformate

disodium;phosphono phosphonatoformate (PubChem CID 88694524) has the molecular formula CH2Na2O8P2 and a molecular weight of 249.95 g/mol. Its IUPAC name is disodium;phosphono phosphonatoformate.

Molecular Properties

Compound Namedisodium;phosphono phosphonatoformate
PubChem CID88694524
Molecular FormulaCH2Na2O8P2
Molecular Weight249.95 g/mol
Exact Mass249.90
IUPAC Namedisodium;phosphono phosphonatoformate
SMILESO=C(OP(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH4O8P2.2Na/c2-1(10(3,4)5)9-11(6,7)8;;/h(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2
InChIKeyFMWCPDHTZBZOCC-UHFFFAOYSA-L
XLogP-7.86
TPSA147.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.95
LogP ≤ 5-7.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-phosphonooxyprop-2-enoate
CID 21118426
phosphono phosphate
CID 57345951
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
sodium;hydride;phosphono carbamate
CID 173413043
sodium dihydroxy(32P)phosphinate
CID 23694678
manganese(2+);phosphono phosphate
CID 138395841
hexacalcium;diphosphono carbonate;hydride
CID 173199692
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
potassium;hydrogen phosphate;rubidium(1+)
CID 175565862
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
disodium;dihydrogen phosphate;fluoride
CID 159057923

Frequently Asked Questions

What is the IUPAC name of disodium;phosphono phosphonatoformate?
The IUPAC name of disodium;phosphono phosphonatoformate (CID 88694524) is disodium;phosphono phosphonatoformate.
What is the SMILES notation for disodium;phosphono phosphonatoformate?
The canonical SMILES for disodium;phosphono phosphonatoformate is O=C(OP(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;phosphono phosphonatoformate?
The InChIKey is FMWCPDHTZBZOCC-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O8P2.2Na/c2-1(10(3,4)5)9-11(6,7)8;;/h(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2.
What are the key properties of disodium;phosphono phosphonatoformate?
disodium;phosphono phosphonatoformate has a molecular weight of 249.95 g/mol, XLogP of -7.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phosphono phosphonatoformate is sourced from PubChem (CID 88694524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).