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

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Properties Simple | Detailed

Formula C17H23N3O7
IUPAC Name [(z)-[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] n-phenylcarbamate
Molecular Mass 381.380 g·mol−1
Heat of Formation -1006.1 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 442.42 Å 3
Surface Area 396.78 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
  • [[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] n-phenylcarbamate
  • n-phenylcarbamic acid [[(3r,4r,5s,6r)-3-butyramido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-ylidene]amino] ester
  • n-phenylcarbamic acid [[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(1-oxobutylamino)-2-tetrahydropyranylidene]amino] ester
InChIKey ITVRELFVFCOUMV-ZVZWZHPPSA-N
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