(2S,3'R,3As,4S,4'S,5'R,6R,6'R,7S,7As)-4-{[(1R,2S,3R,5S,6R)-3-Amino-2,6-Dihydroxy-5-(Methylamino)Cyclohexyl]Oxy}-6'-[(1R)-1-Amino-2-Hydroxyethyl]-6-(Hydroxymethyl)Octahydro-4H-Spiro[1,3-Dioxolo[4,5-C]Pyran-2,2'-Pyran]-3',4',5',7-Tetrol

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Formula C20H37N3O13
IUPAC Name (2s,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexoxy]-6'-[(1r)-1-amino-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-c]pyran-2,2'-tetrahydropyran]-3',4',5',7-tetrol
Molecular Mass 527.520 g·mol−1
Heat of Formation -2371.6 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 585.02 Å 3
Surface Area 453.9 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-methylamino-cyclohexoxy]-6'-[(1r)-1-amino-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,2'-tetrahydropyran]-3',4',5',7-tetrol
  • (2s,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-methylamino-cyclohexoxy]-6'-[(1r)-1-amino-2-hydroxy-ethyl]-6-methylol-spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,2'-tetrahydropyran]-3',4',5',7-tetrol
  • (2s,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-methylamino-cyclohexyl]oxy-6'-[(1r)-1-amino-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,2'-oxane]-3',4',5',7-tetrol
  • (2s,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-methylaminocyclohexoxy]-6'-[(1r)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,2'-tetrahydropyran]-3',4',5',7-tetrol
  • (2s,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-methylaminocyclohexyl]oxy-6'-[(1r)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,2'-oxane]-3',4',5',7-tetrol
  • bcbcmap01_000235
  • smp1_000163
InChIKey GRRNUXAQVGOGFE-XKIAHZFYSA-N
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