Fructose 1,6-diphosphate trisodium salt

C6H11Na3O12P2CAS 38099-82-0406.06 g/mol

Open in Covalent MOL file
O−PO−OOOOHOHOHOPO−OOHNa+Na+Na+
AlcoholKetonePhosphate

Properties

Molecular formula
C6H11Na3O12P2
Molar mass
406.06 g/mol
Exact mass
405.9419 Da
logP
-4.29Crippen estimate
Polar surface area
211.3 Ų
H-bond donors / acceptors
7 / 8
Rotatable bonds
9
Stereocentres
S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
38099-82-0
SMILES
[O-]P([O-])(=O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])(=O)O.[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

6 names
  • D-Fructose, 1,6-bis(dihydrogen phosphate), sodium salt (1:3)
  • D-Fructose, 1,6-bis(dihydrogen phosphate), trisodium salt
  • Trisodium fructose 1,6-diphosphate
  • CPC 111
  • Fosfructose trisodium
  • Cordox

Work with Fructose 1,6-diphosphate trisodium salt

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.

Trisodium fructose 1,6-diphosphate octahydrate81028-91-3Hydrate Fructose 1,6-bisphosphate488-69-7Free acid Calcium fructose diphosphate6055-82-9Salt

Similar compounds

Disodium D-fructose 6-phosphate26177-86-667 % similar 6-Phosphogluconic acid trisodium salt53411-70-456 % similar Sodium glucose 6-phosphate54010-71-852 % similar D-Glucose 6-phosphate disodium salt3671-99-645 % similar Sodium α-glycerophosphate17603-42-842 % similar Barium ribose 5′-phosphate15673-79-739 % similar Dipotassium glucose-6-phosphate5996-17-838 % similar Riboflavin sodium phosphate130-40-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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