[(2S,4Ar,5Ar,6S,7R,8R,9S,9As,10As)-2-Butyl-4A,7-Dihydroxy-6,8-Bis(Methylamino)-4-Oxo-3,5A,6,7,8,9,9A,10A-Octahydro-2H-Benzo[Blah]Pyrano[Blah][1,4]Dioxin-9-Yl] [(2R,3S,4S,5R)-5-(6-Aminopurin-9-Ium-3-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C27H42N7O13P |
IUPAC Name | [(2s,4ar,5ar,6s,7r,8r,9s,9as,10as)-2-butyl-4a,7-dihydroxy-6,8-bis(methylamino)-4-oxo-3,5a,6,7,8,9,9a,10a-octahydro-2h-benzo[blah]pyrano[blah][1,4]dioxin-9-yl] [(2r,3s,4s,5r)-5-(6-aminopurin-9-ium-3-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 703.635 g·mol−1 |
Heat of Formation | -2420.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.87 ± 1.08 D |
Volume | 777.49 Å 3 |
Surface Area | 543.48 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | KBMLGGNBMARJPB-SZCIQYQRSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |