chempirical

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

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+]
InChIKey
YCWICGZNCWNNLP-PWVOXRODSA-N
InChI
InChI=1S/C6H14O12P2.3Na/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

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

Similar compounds

Trisodium fructose 1,6-diphosphate octahydrate81028-91-394 % similar Calcium fructose diphosphate6055-82-971 % similar Disodium D-fructose 6-phosphate26177-86-667 % similar Fructose 1,6-bisphosphate488-69-756 % 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

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

Elsewhere

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