Calcium fructose diphosphate

C6H10Ca2O12P2CAS 6055-82-9416.24 g/mol

Open in Covalent MOL file
O−PO−OOOOHOHOHOPO−O−OCa2+Ca2+
AlcoholKetonePhosphate

Properties

Molecular formula
C6H10Ca2O12P2
Molar mass
416.24 g/mol
Exact mass
415.8899 Da
logP
-3.90Crippen 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
6055-82-9
SMILES
[O-]P([O-])(=O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O.[Ca+2].[Ca+2]
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

3 names
  • D-Fructose, 1,6-bis(dihydrogen phosphate), calcium salt (1:2)
  • Fructose, 1,6-diphosphate, dicalcium salt, D-
  • Candiolin

Work with Calcium fructose diphosphate

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.

Fructose 1,6-bisphosphate488-69-7Free acid Fructose 1,6-diphosphate trisodium salt38099-82-0Salt Trisodium fructose 1,6-diphosphate octahydrate81028-91-3Salt

Similar compounds

Disodium D-fructose 6-phosphate26177-86-669 % similar 6-Phosphogluconic acid trisodium salt53411-70-456 % similar Barium ribose 5′-phosphate15673-79-746 % similar D-Glucose 6-phosphate disodium salt3671-99-645 % similar Dipotassium glucose-6-phosphate5996-17-845 % similar D-Sorbose3615-56-339 % similar Psicose551-68-839 % similar Fructose57-48-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook