2-[(Azidoacetyl)amino]-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate

C16H22N4O10CAS 98924-81-3430.37 g/mol

Open in Covalent MOL file
OOOOONHONN+N−OOOO
AcetalAmideAzideEsterEther

Properties

Molecular formula
C16H22N4O10
Molar mass
430.37 g/mol
Exact mass
430.1336 Da
logP
-0.50Crippen estimate
Polar surface area
192.3 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
8
Stereocentres
R, S, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
98924-81-3
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C
InChIKey
HGMISDAXLUIXKM-ALTVCHKUSA-N
InChI
InChI=1S/C16H22N4O10/c1-7(21)26-6-11-14(27-8(2)22)15(28-9(3)23)13(16(30-11)29-10(4)24)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13-,14-,15-,16?/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • [(2R,3S,4R,5R)-3,4,6-Tris(acetyloxy)-5-(2-azidoacetamido)oxan-2-yl]methyl acetate

Work with 2-[(Azidoacetyl)amino]-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate

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-Azidoacetylmannosamine-tetraacylated361154-30-5Diastereomer

Similar compounds

D-Galactosamine pentaacetate76375-60-562 % similar 2-Azido-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate171032-74-960 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-554 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-954 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-853 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-153 % similar β-D-Galactose pentaacetate4163-60-453 % similar α-D-Mannose pentaacetate4163-65-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook