α-D-Glucopyranose, 1-(dihydrogen phosphate), dipotassium salt, dihydrate

C6H15K2O11PCAS 5996-14-5372.35 g/mol

Open in Covalent MOL file
O−PO−OOOOHOHOHHOH2OH2OK+K+
AlcoholEtherPhosphate

Properties

Molecular formula
C6H15K2O11P
Molar mass
372.35 g/mol
Exact mass
371.9626 Da
logP
-5.52Crippen estimate
Polar surface area
219.9 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
3
Stereocentres
R, R, S, S, 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
5996-14-5
SMILES
[O-]P([O-])(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O.O.[K+].[K+]
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

1 names
  • Glucopyranose, 1-(dihydrogen phosphate), dipotassium salt, dihydrate, α-D-

Work with α-D-Glucopyranose, 1-(dihydrogen phosphate), dipotassium salt, dihydrate

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.

α-D-Glucopyranosyl phosphate disodium salt56401-20-8Salt

Similar compounds

α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-456 % similar Methyl alpha-D-galactopyranoside monohydrate34004-14-351 % similar Trehalose99-20-749 % similar D-Myo-inositol 1,4,5-trisphosphate hexapotassium salt103476-24-048 % similar Lactitol monohydrate81025-04-947 % similar Lactose, monohydrate10039-26-646 % similar Alpha-Lactose monohydrate5989-81-146 % similar Sodium 2-glycerophosphate pentahydrate13408-09-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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