Calcium fructose diphosphate

C₆H₁₀Ca₂O₁₂P₂CAS 6055-82-9416.24 g/mol

Open in Covalent MOL file

Alcohol Ketone Phosphate

Properties

Molecular formula: C₆H₁₀Ca₂O₁₂P₂
Molar mass: 416.24 g/mol
Exact mass: 415.8899 Da
logP: -3.90Crippen estimate
Polar surface area: 211.3 Å²
H-bond donors / acceptors: 7 / 8
Rotatable bonds: 9
Stereocentres: S, R, Rin SMILES atom order

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]

InChIKey

IANQNDYJIJJCAC-ABICQQBESA-N

InChI

InChI=1S/C6H14O12P2.2Ca/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/t3-,5-,6-;;/m1../s1

Weigh it out

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

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

Similar compounds

Fructose 1,6-diphosphate trisodium salt38099-82-071 % similar Disodium D-fructose 6-phosphate26177-86-669 % similar Trisodium fructose 1,6-diphosphate octahydrate81028-91-367 % similar Fructose 1,6-bisphosphate488-69-760 % 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

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

Elsewhere

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