(2R)-7-Methoxy-3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazin-2-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C15H19NO9
IUPAC Name (2r)-7-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4h-1,4-benzoxazin-3-one
Molecular Mass 357.313 g·mol−1
Heat of Formation -1415.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 388.9 Å 3
Surface Area 340.75 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-7-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-1,4-benzoxazin-3-one
  • (2r)-7-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4h-1,4-benzoxazin-3-one
  • (2r)-7-methoxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4h-1,4-benzoxazin-3-one
  • (2r)-7-methoxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4h-1,4-benzoxazin-3-one
InChIKey PMBZSEOAOIYRMW-XFWGRBSCSA-N
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