2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride

C14H20ClNO8CAS 3068-34-6365.76 g/mol

Open in Covalent MOL file
OOOClNHOOOOO
Alkyl halideEsterEther

Properties

Molecular formula
C14H20ClNO8
Molar mass
365.76 g/mol
Exact mass
365.0877 Da
Melting point
126–127 °C
logP
0.72Crippen estimate
Polar surface area
120.7 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
5
Stereocentres
R, R, R, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
3068-34-6
SMILES
CC(=O)OC[C@H]1O[C@H](Cl)[C@H](N=C(C)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
NAYYKQAWUWXLPD-KSTCHIGDSA-N
InChI
InChI=1S/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11-,12-,13-,14+/m1/s1

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Names and synonyms

8 names
  • α-D-Glucopyranosyl chloride, 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
  • 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-α-D-glucopyranosyl chloride
  • 1-Chloro-1-deoxy-2,3,4,6-tetra-O-acetyl-α-D-glucosamine
  • N,3,4,6-O-Tetraacetyl-α-D-glucosaminyl chloride
  • N-Acetyl-3,4,6-tri-O-acetyl-α-D-glucosamin-2-yl chloride
  • 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxya-D-glucopyranosyl chloride
  • Glucopyranosyl chloride, 2-acetamido-2-deoxy-, 3,4,6-triacetate, α-D-
  • Glucopyranosyl chloride, 2-acetamido-2-deoxy-, triacetate

Reactions

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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-galactospyranose3006-60-874 % similar N-Acetyl-beta-D-glucosamine tetraacetate7772-79-474 % similar 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose7784-54-574 % similar 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl azide6205-69-265 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-551 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-951 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-850 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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