1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose

C16H23NO10CAS 7784-54-5389.36 g/mol

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AcetalEsterEther

Properties

Molecular formula
C16H23NO10
Molar mass
389.36 g/mol
Exact mass
389.1322 Da
Melting point
128–130 °C
logP
0.05Crippen estimate
Polar surface area
147.0 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
6
Stereocentres
R, R, R, R, Sin 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
7784-54-5
SMILES
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N=C(C)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
OVPIZHVSWNOZMN-QCODTGAPSA-N
InChI
InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15-,16+/m1/s1

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Names and synonyms

8 names
  • α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-, 1,3,4,6-tetraacetate
  • Glucopyranose, 2-acetamido-2-deoxy-, 1,3,4,6-tetraacetate, α-D-
  • 2-Acetamido-1,3,4,6-tetra-O-acetyl-2-deoxy-α-D-glucopyranose
  • 2-Acetamido-2-deoxy-α-D-glucopyranose 1,3,4,6-tetraacetate
  • NSC 231931
  • 3-Acetamido-6-(acetoxymethyl)tetrahydro-2H-pyran-2,4,5-triyl triacetate
  • 2-Acetamido-2-deoxy-1,3,4,6-tetra-O-acetyl-α-D-glucopyranose
  • Alpha-D-Glucopyranose, 2-(acetylamino)-2-deoxy-, 1,3,4,6-tetraacetate

Work with 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose

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-Acetyl-beta-D-glucosamine tetraacetate7772-79-4Diastereomer 2-Acetamido-1,3,4,6-tetrakis-(O-acetyl)-2-deoxy-D-galactospyranose3006-60-8Diastereomer D-Galactosamine pentaacetate76375-60-5Stereoisomer

Similar compounds

2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride3068-34-674 % similar 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl azide6205-69-267 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-564 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-964 % similar 2-Azido-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate171032-74-963 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-863 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-163 % similar β-D-Galactose pentaacetate4163-60-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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