chempirical

N-Acetyl-α-D-glucosamine

C8H15NO6CAS 10036-64-3221.21 g/mol

Open in Covalent MOL file
OHNHOOHOHOHO
AlcoholEther

Properties

Molecular formula
C8H15NO6
Molar mass
221.21 g/mol
Exact mass
221.0899 Da
Melting point
209–210 °C (decomposes)
logP
-2.24Crippen estimate
Polar surface area
122.7 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
2
Stereocentres
R, R, S, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 44 ECHA notifiers. Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
10036-64-3
SMILES
CC(O)=N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIKey
OVRNDRQMDRJTHS-PVFLNQBWSA-N
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-
  • Glucopyranose, 2-acetamido-2-deoxy-, α-D-
  • 2-(Acetylamino)-2-deoxy-α-D-glucopyranose
  • α-N-Acetyl-D-glucosamine
  • 2-Acetamido-2-deoxy-α-D-glucopyranose
  • 2-Deoxy-2-acetamido-α-D-glucopyranose
  • 2-Acetamido-2-deoxy-α-D-glucose
  • α-N-Acetylglucosamine

Work with N-Acetyl-α-D-glucosamine

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.

N-Acetylmannosamine7772-94-3Diastereomer N-Acetyl-α-D-galactosamine14215-68-0Diastereomer

Similar compounds

Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside10139-04-560 % similar Phenylmethyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside13343-62-957 % similar 2-Azido-2-deoxy-D-glucose56883-39-752 % similar N,N′-Diacetylchitobiose35061-50-852 % similar D-Galactopyranose10257-28-050 % similar β-D-Glucose492-61-550 % similar α-D-Glucose492-62-650 % similar β-D-Allopyranose7283-09-250 % similar

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

Same formula

N-Acetylgalactosamine1811-31-0 N-Acetylglucosamine7512-17-6 Acetylglucosamine98632-70-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook