chempirical

N-Acetylglucosamine

C8H15NO6CAS 7512-17-6221.21 g/mol

Open in Covalent MOL file
ONHOOHOHOHOH
AlcoholAldehyde

Properties

Molecular formula
C8H15NO6
Molar mass
221.21 g/mol
Exact mass
221.0899 Da
Density
1.54 g/mL
Melting point
205 °C
logP
-2.39Crippen estimate
Polar surface area
130.6 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
6
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 50 ECHA notifiers. Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7512-17-6
SMILES
CC(O)=N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
MBLBDJOUHNCFQT-LXGUWJNJSA-N
InChI
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • D-Glucose, 2-(acetylamino)-2-deoxy-
  • D-Glucose, 2-acetamido-2-deoxy-
  • 2-(Acetylamino)-2-deoxy-D-glucose
  • N-Acetyl-D-glucosamine
  • 2-Acetamido-2-deoxy-D-glucose
  • Acetylglucosamine
  • N-Acetyl-2-amino-2-deoxy-D-glucose
  • N-Acetyl-2-amino-2-deoxyglucose
  • 2-Acetamido-D-glucose
  • 2-Acetamido-2-deoxyglucose
  • D-N-Acetylglucosamine
  • Marine sweet
  • NSC 524344
  • Bio-NAG
  • GreenNAG
  • Marine sweet YSK
  • MarineSweet F

Work with N-Acetylglucosamine

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-Acetylgalactosamine1811-31-0Diastereomer Acetylglucosamine98632-70-3

Similar compounds

N-Acetylmuramic acid10597-89-465 % similar Streptozotocin18883-66-461 % similar N,N′-Diacetylchitobiose35061-50-860 % similar N-Acetylchitohexaose38854-46-556 % similar N,N′,N′′-Triacetylchitotriose38864-21-056 % similar 2-[(2-Azidoacetyl)amino]-2-deoxy-D-galactose869186-83-456 % similar N-Acetylneuraminic acid131-48-651 % similar Metrizamide31112-62-651 % similar

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

Same formula

N-Acetyl-α-D-glucosamine10036-64-3 N-Acetyl-α-D-galactosamine14215-68-0 N-Acetylmannosamine7772-94-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia