Anilino({(Z)-[(3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Ylidene]Amino}Oxy)Methanone

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Properties Simple | Detailed

Formula C13H16N2O7
IUPAC Name [(z)-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] n-phenylcarbamate
Molecular Mass 312.275 g·mol−1
Heat of Formation -962.4 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 342.72 Å 3
Surface Area 317.83 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • [[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
  • [[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] n-phenylcarbamate
  • d-gluconimidic acid, n-(((phenylamino)carbonyl)oxy)-, delta-lactone
  • d-gluconohydroximino-1,5-lactone-n-phenylurethane
  • ghlpu
  • gluconohydroximo-1,5-lactone-n-phenylurethane
  • gluconophylurethane
  • n-(((phenylamino)carbonyl)oxy)-d-gluconimidic acid delta-lactone
  • n-phenylcarbamic acid [[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranylidene]amino] ester
  • n-phenylcarbamic acid [[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-ylidene]amino] ester
CAS Number(s)
  • 102579-56-6
InChIKey GPIOBIZYEXDBSE-ABMBDTQUSA-N
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