(11R,11As)-9,11-Dihydroxy-8-Methyl-5-Oxo-2-[(1E)-1-Propen-1-Yl]-5,10,11,11A-Tetrahydro-1H-Pyrrolo[2,1-C][1,4]Benzodiazepin-7-Yl 4,6-Dideoxy-3-C-Methyl-4-(Methylamino)-α-L-Mannopyranoside

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Properties Simple | Detailed

Formula C24H33N3O7
IUPAC Name (6r,6as,8e)-2-[(2s,3r,4r,5s,6s)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)tetrahydropyran-2-yl]oxy-6-hydroxy-3-methylene-8-prop-2-ynylidene-6,6a,7,9-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-9-ide-4,11-dione
Molecular Mass 475.535 g·mol−1
Heat of Formation -1106.5 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 558.27 Å 3
Surface Area 461.08 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,6as)-2-[(2s,3r,4r,5s,6s)-3,4-dihydroxy-4,6-dimethyl-5-methylamino-oxan-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(e)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • (6r,6as)-2-[(2s,3r,4r,5s,6s)-3,4-dihydroxy-4,6-dimethyl-5-methylamino-tetrahydropyran-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(e)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • (6r,6as)-2-[(2s,3r,4r,5s,6s)-3,4-dihydroxy-4,6-dimethyl-5-methylaminooxan-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(e)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • (6r,6as)-2-[[(2s,3r,4r,5s,6s)-3,4-dihydroxy-4,6-dimethyl-5-methylamino-2-tetrahydropyranyl]oxy]-4,6-dihydroxy-3-methyl-8-[(e)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
  • 5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7-((4,6-dideoxy-3-c-methyl-4-(methylamino)-alpha-l-mannopyranosyl)oxy)-1,10,11,11a-treahydro-9,11-dihydroxy-8-methyl-2-(1e)-1-propenyl-, (11r,11as)-
  • sibiromycin
  • sybiromycin
CAS Number(s)
  • 12684-33-2
InChIKey RAGFPHFDFVNLCG-INYQBOQCSA-N
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