5'-O-{[5-(7-Hydroxy-3-Oxo-3H-Phenoxazin-2-Yl)Pentanoyl]Sulfamoyl}Adenosine

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Formula C27H35N7O10S
IUPAC Name [(2r,3s,4r,5s)-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[5-(7-hydroxy-3-oxo-8,9-dihydro-6h-phenoxazine-5a,6,7,8,9,9a,10,10a-octaid-2-yl)pentanoyl]sulfamate
Molecular Mass 649.673 g·mol−1
Heat of Formation -1178.8 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 682.23 Å 3
Surface Area 561.83 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
InChIKey INHRVYHMUNZSSB-PKDYZCKRSA-N
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