chempirical

N-Acetylgalactosamine

C8H15NO6CAS 1811-31-0221.21 g/mol

Open in Covalent MOL file
ONHOOHOHOHOH
AlcoholAldehyde

Properties

Molecular formula
C8H15NO6
Molar mass
221.21 g/mol
Exact mass
221.0899 Da
Melting point
159–160 °C
logP
-2.39Crippen estimate
Polar surface area
130.6 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
6
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1811-31-0
SMILES
CC(O)=N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIKey
MBLBDJOUHNCFQT-OSMVPFSASA-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.

Names and synonyms

15 names · show all
  • D-Galactose, 2-(acetylamino)-2-deoxy-
  • Galactose, 2-acetamido-2-deoxy-, D-
  • Galactosamine, N-acetyl-, D-
  • 2-(Acetylamino)-2-deoxy-D-galactose
  • 2-Acetamido-2-deoxy-D-galactose
  • N-Acetyl-D-galactosamine
  • N-Acetyl-2-amino-2-deoxy-D-galactose
  • N-Acetyl-2-amino-2-deoxygalactose
  • 2-Deoxy-2-acetamido-D-galactose
  • 2-N-Acetyl-D-galactosamine
  • D-N-Acetylgalactosamine
  • N-Acetylchondrosamine
  • GalNAc
  • N-Acetyl D-galactosamine
  • 1: PN: WO2021037972 SEQID: 578 claimed sequence

Work with N-Acetylgalactosamine

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-Acetylglucosamine7512-17-6Diastereomer Acetylglucosamine98632-70-3Diastereomer

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

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