(3As,4R,7R,8S,9S,10R,11R,13R,15R,15Ar)-4-Ethyl-11-Methoxy-3A,7,9,11,13,15-Hexamethyl-2,6,14-Trioxo-1-{4-[4-(3-Pyridinyl)-1H-Imidazol-1-Yl]Butyl}-10-{[3,4,6-Trideoxy-3-(Dimethylamino)-β-D-Xylo-Hexopyranosyl]Oxy}Tetradecahydro-2H-Oxacyclotetradecino[4,3-D][1,3]Oxazol-8-Yl 2,6-Dideoxy-3-C-Methyl-3-O-Methyl-Alpha-L-Ribo-Hexopyranoside

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Properties Simple | Detailed

Formula C51H81N5O13
IUPAC Name (1r,2r,4r,6r,7r,8s,9s,10r,13r,14s)-7-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-[5-(3-pyridyl)-4h-imidazol-3-ium-4-ylium-3-yl]butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,11,16-trione
Molecular Mass 972.215 g·mol−1
Heat of Formation -2498.9 ± 16.7 kJ·mol−1
Dipole Moment 13.39 ± 1.08 D
Volume 1202.76 Å 3
Surface Area 774.24 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey LSUFMKOMGWIEMZ-IBNZHXLDSA-N
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