β-D-Glucose

C₆H₁₂O₆CAS 492-61-5180.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₆
Molar mass: 180.16 g/mol
Exact mass: 180.0634 Da
Melting point: 148–150 °C
logP: -3.22Crippen estimate
Polar surface area: 110.4 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 1
Stereocentres: R, R, R, S, Sin SMILES atom order

Hazards

Danger

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled99.3% of notifiers

Aggregated from 298 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P271, P284, P304+P340, P342+P316, P403, P501

Identifiers

CAS number

492-61-5

SMILES

OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

WQZGKKKJIJFFOK-VFUOTHLCSA-N

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1

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Names and synonyms

4 names

β-D-Glucopyranose
Glucopyranose, β-D-
β-Dextrose
β-Glucose

Work with β-D-Glucose

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-Glucose monohydrate14431-43-7Hydrate, diastereomer α-D-Glucose monohydrate5996-10-1Hydrate, diastereomer β-Galactosidase9031-11-2Diastereomer α-D-Glucose492-62-6Diastereomer β-D-Allopyranose7283-09-2Diastereomer D-Galactopyranose10257-28-0Stereoisomer Beta-D-glucose9001-37-0

Similar compounds

α-D-Lactose14641-93-170 % similar β-Lactose5965-66-270 % similar Dextrin9004-53-970 % similar Amylodextrin9005-84-970 % similar Cellulase9012-54-870 % similar β-D-Glucan9041-22-970 % similar Laminarin9008-22-465 % similar Lactose, monohydrate10039-26-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Mannose10030-80-5 L-Galactose15572-79-9 Altrose1990-29-0 L-Talose23567-25-1 Allose2595-97-3 Talose2595-98-4 Beta-D-fructose308066-66-2

Elsewhere

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