(1R)-1,5-Anhydro-2,3,6-Trideoxy-3-(Dimethylnitroryl)-1-[(3Ar,5R,11Br)-7-Hydroxy-5-Methyl-2,6,11-Trioxo-3,3A,5,6,11,11B-Hexahydro-2H-Benzo[G]Furo[3,2-C]Isochromen-10-Yl]-D-Arabino-Hexitol

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Properties Simple | Detailed

Formula C24H27NO9
IUPAC Name (2r,3s,4r,6r)-3-hydroxy-6-[(11r,15r,17r)-4-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraen-7-yl]-n,n,2-trimethyl-tetrahydropyran-4-amine oxide
Molecular Mass 473.472 g·mol−1
Heat of Formation -1258.2 ± 16.7 kJ·mol−1
Dipole Moment 9.42 ± 1.08 D
Volume 522.23 Å 3
Surface Area 427.05 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-furo(3,2-b)naphtho(2,3-d)pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-10-(2,3,6-trideoxy-3-(dimethyloxidoamino)-beta-d-arabino-hexopyranosyl)-, (3ar-(3aalpha,5alpha,11balpha))-
  • 2h-furo(3,2-b)naphtho(2,3-d)pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-d-arabino-hexopyranosyl)-, n-oxide, (3ar,5r,11br)-
  • 2h-furo(3,2-b)naphtho(2,3-d)pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-d-arabino-hexopyranosyl)-, n-oxide, (3ar-(3aalpha,5alpha,11balpha))-
CAS Number(s)
  • 160492-65-9
InChIKey AFVFOGCWMMKRCH-HNWASVEASA-N
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