(2R,5Ar,6Ar,7S,8S,9R,10S,10Ar,11As)-5A,8,10-Trihydroxy-2-Methyl-7,9-Bis(Methylamino)Decahydrooxepino[2,3-B][1,4]Benzodioxin-5(2H)-One

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Formula C15H26N2O7
IUPAC Name (2r,5ar,6ar,7s,8s,9r,10s,10ar,11as)-5a,8,10-trihydroxy-2-methyl-7,9-bis(methylamino)-2,3,4,6a,7,8,9,10,10a,11a-decahydrobenzo[1,2][1,4]dioxino[3,4-c]oxepin-5-one
Molecular Mass 346.376 g·mol−1
Heat of Formation -1255.9 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 398.44 Å 3
Surface Area 333.44 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • homospectinomycin
  • oxepino(2,3-b)(1,4)benzodioxin-5(2h)-one, decahydro-5a,8,10-trihydroxy-2-methyl-7,9-bis(methylamino)-, (2r-(2alpha,5abeta,6abeta,7beta,8beta,9beta,10alpha,10aalpha,11beta))-
CAS Number(s)
  • 97187-32-1
InChIKey QUCDOQYZEHOJNX-XLBYJKOOSA-N
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