(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 C28H28N8O18P3S+
IUPAC Name [(2r)-4-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-hydroxy-4-oxobutyl]-trimethylazanium
Molecular Mass 889.551 g·mol−1
Heat of Formation 1004.2 ± 16.7 kJ·mol−1
Dipole Moment 10.80 ± 1.08 D
Volume 866.28 Å 3
Surface Area 739.83 Å 2
Point Group Symmetry C1
InChIKey BBRISSLDTUHWKG-PVMHLSDZSA-O
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