(9R,21R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,21-Tetrahydroxy-N,N,N,8,8-Pentamethyl-10,14,19-Trioxo-2,4,6-Trioxa-18-Thia-11,15-Diaza-3,5-Diphosphadocosan-22-Aminium 3,5-Dioxide

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Properties Simple | Detailed

Formula C28H50N8O18P3S+
IUPAC Name [(2r)-4-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-hydroxy-4-oxo-butyl]-trimethyl-ammonium
Molecular Mass 911.726 g·mol−1
Heat of Formation 980.1 ± 16.7 kJ·mol−1
Dipole Moment 19.07 ± 1.08 D
Volume 864.73 Å 3
Surface Area 748.11 Å 2
Point Group Symmetry C1
InChIKey BBRISSLDTUHWKG-PVMHLSDZSA-O
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