Methyl [(2S,3R,4S,5S,6R)-2-Carbamoyl-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Carbamate

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Properties Simple | Detailed

Formula C9H16N2O8
IUPAC Name methyl n-[(2s,3r,4s,5s,6r)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]carbamate
Molecular Mass 280.232 g·mol−1
Heat of Formation -1464.0 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 302.55 Å 3
Surface Area 264.1 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide
  • cra
  • methyl n-[(2s,3r,4s,5s,6r)-2-aminocarbonyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
  • methyl n-[(2s,3r,4s,5s,6r)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
  • methyl n-[(2s,3r,4s,5s,6r)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]carbamate
  • n-[(2s,3r,4s,5s,6r)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]carbamic acid methyl ester
  • n-[(2s,3r,4s,5s,6r)-2-carbamoyl-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]carbamic acid methyl ester
InChIKey ZQTAMPRAONLFQI-FMTWGGRWSA-N
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