3-(4-Methyl-9H-β-Carbolin-1-Yl)-3-Oxopropyl 6-Deoxy-Alpha-L-Mannopyranoside

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Properties Simple | Detailed

Formula C21H24N2O6
IUPAC Name 1-(4-methyl-9h-pyrido[3,4-b]indol-1-yl)-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-propan-1-one
Molecular Mass 400.425 g·mol−1
Heat of Formation -932.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 461.92 Å 3
Surface Area 341.61 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-methyl-9h-$b-carbolin-1-yl)-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-propan-1-one
  • 1-(4-methyl-9h-pyrido[3,4-b]indol-1-yl)-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-propan-1-one
  • 1-(4-methyl-9h-pyrido[3,4-b]indol-1-yl)-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-propan-1-one
  • 1-(4-methyl-9h-pyrido[3,4-b]indol-1-yl)-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-1-one
  • 1-(4-methyl-9h-pyrido[3,4-b]indol-1-yl)-3-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]propan-1-one
  • 1-propanone, 3-((6-deoxy-alpha-l-mannopyranosyl)oxy)-1-(4-methyl-9h-pyrido(3,4-b)indol-1-yl)-
  • oxopropaline e
CAS Number(s)
  • 152752-60-8
InChIKey FSOBSGJDWJWABF-YOHLVPJJSA-N
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