8-Amino-4-Oxo-3,4-Dihydro-1-Phthalazinyl 2-Acetamido-2-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C16H20N4O7
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-(8-amino-4-oxo-phthalazin-1-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 380.353 g·mol−1
Heat of Formation -1064.1 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 415.95 Å 3
Surface Area 354.57 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 3-aminophthalylhydrazido-n-acetyl-beta-glucosaminide
  • lum-nag
  • n-[(2s,3r,4r,5s,6r)-2-[(8-amino-4-keto-3h-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(8-amino-4-oxo-3h-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(8-amino-4-oxo-3h-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(8-amino-4-oxo-3h-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-[(8-amino-4-oxo-3h-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 128879-80-1
InChIKey WROZDOJWRUAYBA-CSTFGSAOSA-N
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