(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(Dimethylammonio)-5-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]-2-[(2S,2'R,3R,3'S)-3,3'-Dimethyl-2,2'-Bioxir-3-Yl]-11-Hydroxy-5-Methyl-4,7,12-Trioxo-7,12-Dihydro-4H-Naphtho[2,3-H]Chromen-10-Yl}-3-Hydroxy-N,N,2,4-Tetramethyltetrahydro-2H-Pyran-4-Aminium

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Properties Simple | Detailed

Formula C41H52N2O11++
IUPAC Name [(2r,3s,4r,6r)-6-[10-[(2r,4s,5s,6s)-4-(dimethylammonio)-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]-12-hydroxy-5-methyl-2-[(2r,3s)-2-methyl-3-[(2r,3s)-3-methyloxiran-2-yl]oxiran-2-yl]-4,7,11-trioxo-naphtho[7,6-h]chromene-7a,10-diid-8-yl]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-dimethyl-ammonium
Molecular Mass 748.858 g·mol−1
Heat of Formation 4024.4 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 774.29 Å 3
Surface Area 634.28 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -2.43 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3s,4s,6r)-6-[8-[(2r,4r,5s,6r)-4-dimethylammonio-5-hydroxy-6-methyl-2-tetrahydropyranyl]-11-hydroxy-5-methyl-2-[(2r,3s)-2-methyl-3-[(2r,3s)-3-methyl-2-oxiranyl]-2-oxiranyl]-4,7,12-trioxo-10-naphtho[6,7-h]chromenyl]-3-hydroxy-2,4-dimethyl-4-tetrahydropyranyl]-dimethylammonium
  • [(2s,3s,4s,6r)-6-[8-[(2r,4r,5s,6r)-4-dimethylammonio-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-11-hydroxy-4,7,12-triketo-5-methyl-2-[(2r,3s)-2-methyl-3-[(2r,3s)-3-methyloxiran-2-yl]oxiran-2-yl]naphtho[6,7-h]chromen-10-yl]-3-hydroxy-2,4-dimethyl-tetrahydropyran-4-yl]-dimethyl-ammonium
  • [(2s,3s,4s,6r)-6-[8-[(2r,4r,5s,6r)-4-dimethylammonio-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-11-hydroxy-5-methyl-2-[(2r,3s)-2-methyl-3-[(2r,3s)-3-methyloxiran-2-yl]oxiran-2-yl]-4,7,12-trioxo-naphtho[6,7-h]chromen-10-yl]-3-hydroxy-2,4-dimethyl-tetrahydropyran-4-yl]-dimethyl-ammonium
  • [(2s,3s,4s,6r)-6-[8-[(2r,4r,5s,6r)-4-dimethylazaniumyl-5-hydroxy-6-methyl-oxan-2-yl]-11-hydroxy-5-methyl-2-[(2r,3s)-2-methyl-3-[(2r,3s)-3-methyloxiran-2-yl]oxiran-2-yl]-4,7,12-trioxo-naphtho[6,7-h]chromen-10-yl]-3-hydroxy-2,4-dimethyl-oxan-4-yl]-dimethyl-azanium
InChIKey RZOFHOWMWMTHDX-KCOMYAKUSA-P
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