S-{(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~,5Lambda~5~-Diphosphaheptadecan-17-Yl} (2R)-2-Methyltetradecanethioate

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Properties Simple | Detailed

Formula C36H66N7O17P3S
IUPAC Name aminomethylene-[amino-[(1s)-1-(3-oxopenta-1,4-diynyl)-1h-imidazole-1,3-diium-4-yl]methylene]ammonium; (e)-ethylidene-[3-[[(2z)-2-hydroxy-2-(2-oxocyclobutylidene)acetyl]amino]propanoyl]ammonium; hydron; phosphenic acid; phosphooxy hydrogen phosphite; sulfanylmethanol; 1-undecylcyclopropene; dihydrate
Molecular Mass 1006.028 g·mol−1
Heat of Formation -2574.6 ± 16.7 kJ·mol−1
Dipole Moment 8.64 ± 1.08 D
Volume 1232.54 Å 3
Surface Area 1033.52 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
InChIKey KJEFZXSIQKASDI-MOTPQXBDSA-N
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