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

C₆H₁₅K₂O₁₁PCAS 5996-14-5372.35 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate

Properties

Molecular formula: C₆H₁₅K₂O₁₁P
Molar mass: 372.35 g/mol
Exact mass: 371.9626 Da
logP: -5.52Crippen estimate
Polar surface area: 219.9 Å²
H-bond donors / acceptors: 6 / 7
Rotatable bonds: 3
Stereocentres: R, R, S, S, Rin SMILES atom order

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+]

InChIKey

RZULLROGARPECB-QMKHLHGBSA-N

InChI

InChI=1S/C6H13O9P.2K.2H2O/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-10H,1H2,(H2,11,12,13);;;2*1H2/t2-,3-,4+,5-,6-;;;;/m1..../s1

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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

Similar compounds

α-D-Glucopyranosyl phosphate disodium salt56401-20-878 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-456 % 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 α-Lactose monohydrate5989-81-146 % similar α-D-Glucose monohydrate14431-43-745 % similar

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

Elsewhere

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