chempirical

Trisodium phosphonoformate hexahydrate

CH12Na3O11PCAS 34156-56-4300.04 g/mol

Open in Covalent MOL file
O−OPO−O−OH2OH2OH2OH2OH2OH2ONa+Na+Na+
Phosphonate

Properties

Molecular formula
CH12Na3O11P
Molar mass
300.04 g/mol
Exact mass
299.9810 Da
logP
-6.25Crippen estimate
Polar surface area
283.8 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
34156-56-4
SMILES
[O-]C(=O)P([O-])([O-])=O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
InChIKey
PBXQQBWBUCTCPC-UHFFFAOYSA-N
InChI
InChI=1S/CH3O5P.3Na.6H2O/c2-1(3)7(4,5)6;;;;;;;;;/h(H,2,3)(H2,4,5,6);;;;6*1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Phosphinecarboxylic acid, 1,1-dihydroxy-, 1-oxide, sodium salt, hydrate (1:3:6)
  • Phosphinecarboxylic acid, dihydroxy-, oxide, trisodium salt, hexahydrate
  • Formic acid, phosphono-, trisodium salt, hexahydrate

Work with Trisodium phosphonoformate hexahydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Foscarnet sodium63585-09-1Anhydrous

Similar compounds

Trisodium phosphate dodecahydrate10101-89-042 % similar Sodium carbonate decahydrate6132-02-142 % similar Sodium dihydrogen phosphate monohydrate10049-21-539 % similar Sodium dihydrogen phosphate dihydrate13472-35-039 % similar Disodium hydrogen phosphate dihydrate10028-24-738 % similar Disodium hydrogen phosphate dodecahydrate10039-32-438 % similar Sodium pyrophosphate decahydrate13472-36-138 % similar Disodium propanedioate hydrate26522-85-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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