(2R)-7-Chloro-4-Hydroxy-3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazin-2-Yl α-D-Galactopyranoside

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Properties Simple | Detailed

Formula C14H16ClNO9
IUPAC Name (2r)-7-chloro-4-hydroxy-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4-benzoxazin-3-one
Molecular Mass 377.731 g·mol−1
Heat of Formation -1396.3 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 389.38 Å 3
Surface Area 323.8 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-7-chloro-4-hydroxy-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
  • (2r)-7-chloro-4-hydroxy-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4-benzoxazin-3-one
  • (2r)-7-chloro-4-hydroxy-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4-benzoxazin-3-one
  • (2r)-7-chloro-4-hydroxy-2-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4-benzoxazin-3-one
  • 2h-1,4-benzoxazin-3(4h)-one, 7-chloro-2-(hexopyranosyloxy)-4-hydroxy-, (2r)-
  • 7-chloro-(2r)-2-o-beta-d-glucopyranosyl-4-hydroxy-2h-1,4-benzoxazin-3(4h)-one
  • 7-chloro-4-hydroxy-2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-4h-benzo[1,4]oxazin-3-one
  • 7-chloro-4-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-2-yl hexopyranoside
  • 7-cl-diboa-glc
InChIKey XEGGMKDQOCMCAD-KPXALZLISA-N
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