chempirical

2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl azide

C14H20N4O8CAS 6205-69-2372.33 g/mol

Open in Covalent MOL file
OOONN+N−NHOOOOO
AzideEsterEther

Properties

Molecular formula
C14H20N4O8
Molar mass
372.33 g/mol
Exact mass
372.1281 Da
Melting point
160–161 °C (decomposes)
logP
0.79Crippen estimate
Polar surface area
169.5 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
6
Stereocentres
R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
6205-69-2
SMILES
CC(=O)OC[C@H]1O[C@@H](N=[N+]=[N-])[C@H](N=C(C)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
RMCFMPMNMQZHSF-DHGKCCLASA-N
InChI
InChI=1S/C14H20N4O8/c1-6(19)16-11-13(25-9(4)22)12(24-8(3)21)10(5-23-7(2)20)26-14(11)17-18-15/h10-14H,5H2,1-4H3,(H,16,19)/t10-,11-,12-,13-,14-/m1/s1

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Names and synonyms

4 names
  • β-D-Glucopyranosyl azide, 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
  • Glucopyranosyl azide, 2-acetamido-2-deoxy-, 3,4,6-triacetate, β-D-
  • Glucopyranosyl azide, 2-acetamido-2-deoxy-, triacetate
  • 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl azide

Work with 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl azide

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

Similar compounds

2-Acetamido-1,3,4,6-tetrakis-(O-acetyl)-2-deoxy-D-galactospyranose3006-60-867 % similar N-Acetyl-β-D-glucosamine tetraacetate7772-79-467 % similar 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose7784-54-567 % similar 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride3068-34-665 % similar D-Glycero-D-galacto-non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-4-azido-3,4,5-trideoxy-, methyl ester, 7,8,9-triacetate130525-58-562 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-546 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-946 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-145 % similar

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

Elsewhere

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