disodium;1-phosphonatoethanone

C2H3Na2O4P — CID 20532293

IUPACdisodium;1-phosphonatoethanone
SMILESCC(=O)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H5O4P.2Na/c1-2(3)7(4,5)6;;/h1H3,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyHQUVJUQJOCZWGP-UHFFFAOYSA-L
MW168.00 g/mol
LogP-7.55
Rot. Bonds1

About disodium;1-phosphonatoethanone

disodium;1-phosphonatoethanone (PubChem CID 20532293) has the molecular formula C2H3Na2O4P and a molecular weight of 168.00 g/mol. Its IUPAC name is disodium;1-phosphonatoethanone.

Molecular Properties

Compound Namedisodium;1-phosphonatoethanone
PubChem CID20532293
Molecular FormulaC2H3Na2O4P
Molecular Weight168.00 g/mol
Exact Mass167.96
IUPAC Namedisodium;1-phosphonatoethanone
SMILESCC(=O)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C2H5O4P.2Na/c1-2(3)7(4,5)6;;/h1H3,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyHQUVJUQJOCZWGP-UHFFFAOYSA-L
XLogP-7.55
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.00
LogP ≤ 5-7.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;1-phosphonatoethanone?
The IUPAC name of disodium;1-phosphonatoethanone (CID 20532293) is disodium;1-phosphonatoethanone.
What is the SMILES notation for disodium;1-phosphonatoethanone?
The canonical SMILES for disodium;1-phosphonatoethanone is CC(=O)P(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;1-phosphonatoethanone?
The InChIKey is HQUVJUQJOCZWGP-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5O4P.2Na/c1-2(3)7(4,5)6;;/h1H3,(H2,4,5,6);;/q;2*+1/p-2.
What are the key properties of disodium;1-phosphonatoethanone?
disodium;1-phosphonatoethanone has a molecular weight of 168.00 g/mol, XLogP of -7.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-phosphonatoethanone is sourced from PubChem (CID 20532293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).