α-D-Glucose monohydrate

C6H14O7CAS 5996-10-1198.17 g/mol

Open in Covalent MOL file
H2OHOOOHOHOHHO
AlcoholEther

Properties

Molecular formula
C6H14O7
Molar mass
198.17 g/mol
Exact mass
198.0740 Da
logP
-4.05Crippen estimate
Polar surface area
141.9 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
1
Stereocentres
R, S, R, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 75 ECHA notifiers. Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5996-10-1
SMILES
O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
OSNSWKAZFASRNG-WNFIKIDCSA-N
InChI
InChI=1S/C6H12O6.H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H2/t2-,3-,4+,5-,6+;/m1./s1

Weigh it out

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

Names and synonyms

2 names
  • α-D-Glucopyranose, hydrate (1:1)
  • α-D-Glucopyranose, monohydrate

Work with α-D-Glucose monohydrate

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.

Beta-D-glucose9001-37-0Anhydrous, diastereomer β-Galactosidase9031-11-2Anhydrous, diastereomer α-D-Glucose492-62-6Anhydrous β-D-Glucose492-61-5Anhydrous, diastereomer β-D-Allopyranose7283-09-2Anhydrous, diastereomer D-Galactopyranose10257-28-0Anhydrous, stereoisomer α-D-Glucose monohydrate14431-43-7

Similar compounds

Lactose, monohydrate10039-26-673 % similar Alpha-Lactose monohydrate5989-81-173 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-466 % similar α-D-Lactose14641-93-164 % similar β-Lactose5965-66-264 % similar Dextrin9004-53-964 % similar Amylodextrin9005-84-964 % similar Cellulase9012-54-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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