S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3Lambda~5~,5Lamb Da~5~-Diphosphaheptadecan-17-Yl} 1-Hydroxy-2-Naphthalenecarbothioate (Non-Preferred Name)

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Formula C32H42N7O18P3S
IUPAC Name s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 1-hydroxynaphthalene-2-carbothioate
Molecular Mass 937.698 g·mol−1
Heat of Formation -3774.2 ± 16.7 kJ·mol−1
Dipole Moment 10.04 ± 1.08 D
Volume 987.66 Å 3
Surface Area 819.25 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey ZHSLHXZSNOSMQG-HSJNEKGZSA-N
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