chempirical

α-D-Glucopyranosyl phosphate disodium salt

C6H11Na2O9PCAS 56401-20-8304.10 g/mol

Open in Covalent MOL file
O−PO−OOOOHOHOHHONa+Na+
AlcoholEtherPhosphate

Properties

Molecular formula
C6H11Na2O9P
Molar mass
304.10 g/mol
Exact mass
303.9936 Da
logP
-3.87Crippen estimate
Polar surface area
156.9 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
3
Stereocentres
R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
56401-20-8
SMILES
[O-]P([O-])(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[Na+].[Na+]
InChIKey
AQMGMJDBUKKFOG-PKXGBZFFSA-N
InChI
InChI=1S/C6H13O9P.2Na/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/t2-,3-,4+,5-,6-;;/m1../s1

Weigh it out

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

Names and synonyms

5 names
  • α-D-Glucopyranose, 1-(dihydrogen phosphate), sodium salt (1:2)
  • α-D-Glucopyranose, 1-(dihydrogen phosphate), disodium salt
  • α-D-Glucose 1-(dihydrogen phosphate) disodium salt
  • α-D-Glucose 1-phosphate disodium salt
  • Phocytan

Work with α-D-Glucopyranosyl phosphate disodium 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

α-D-Glucopyranose, 1-(dihydrogen phosphate), dipotassium salt, dihydrate5996-14-578 % similar Trehalose99-20-753 % similar Sodium β-glycerophosphate819-83-053 % similar Glucosylglycerol22160-26-549 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-449 % similar Methyl β-D-galactopyranoside1824-94-848 % similar Methyl-α-D-galactose3396-99-448 % similar Methyl α-D-mannopyranoside617-04-948 % similar

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

Same formula

Disodium D-fructose 6-phosphate26177-86-6 D-Glucose 6-phosphate disodium salt3671-99-6

Elsewhere

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