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.

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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

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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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