(2R,4As,5Ar,6S,7S,8R,9S,9Ar,10As)-4-Methoxy-2-Methyl-6,8-Bis(Methylamino)-5A,6,7,8,9,9A-Hexahydro-2H-Pyrano[2,3-B][1,4]Benzodioxine-4A,7,9(10Ah)-Triol

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Formula C15H26N2O7
IUPAC Name (1r,3s,5r,8s,10r,11s,12s,13r,14s)-7-methoxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradec-6-ene-8,12,14-triol
Molecular Mass 346.376 g·mol−1
Heat of Formation -1167.4 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 400.24 Å 3
Surface Area 341.62 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyrano(2,3-b)(1,4)benzodioxin-4a,7,9(10ah)-triol, 5a,6,7,8,9,9a-hexahydro-4-methoxy-2-methyl-6,8-bis(methylamino)-, (2r-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10beta))-
  • spenolimycin
CAS Number(s)
  • 95041-97-7
InChIKey JXUOVTMVWNHOAJ-XLBYJKOOSA-N
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