N-[(2Z,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-{[(Phenylcarbamoyl)Oxy]Imino}Tetrahydro-2H-Pyran-3-Yl]Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C15H19N3O7
IUPAC Name [(z)-[(3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] n-phenylcarbamate
Molecular Mass 353.327 g·mol−1
Heat of Formation -970.0 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 386.28 Å 3
Surface Area 357.51 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1z)-2-(acetylamino)-2-deoxy-n-(((phenylamino)carbonyl)oxy)-d-gluconimidic acid delta-lactone
  • [[(3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
  • [[(3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] n-phenylcarbamate
  • d-gluconimidic acid, 2-(acetylamino)-2-deoxy-n-(((phenylamino)carbonyl)oxy)-, delta-lactone, (1z)-
  • n-acetylglucosaminono-1,5-lactone o-(phenylcarbamoyl)oxime
  • n-phenylcarbamic acid [[(3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranylidene]amino] ester
  • n-phenylcarbamic acid [[(3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-ylidene]amino] ester
  • nac-lapco
  • o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate
  • o-(2-acetamido-2-deoxyglucopyranosylidene)amino n-phenylcarbamate
  • pugnac
CAS Number(s)
  • 132489-69-1
InChIKey PBLNJFVQMUMOJY-JXZOILRNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N