(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,21-Tetrahydroxy-8,8,21-Trimethyl-10,14-Dioxo-19-Sulfanyl-2,4,6-Trioxa-18-Thia-11,15- Diaza-3,5-Diphosphatricosan-23-Oic Acid 3,5-Dioxide (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C27H46N7O19P3S2 |
IUPAC Name | (3s,5r)-5-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-4-ylium-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]-3-hydroxy-3-methyl-5-sulfanyl-pentanoic acid |
Molecular Mass | 929.741 g·mol−1 |
Heat of Formation | -4263.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.13 ± 1.08 D |
Volume | 987.9 Å 3 |
Surface Area | 790.1 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -1.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | YDFKRXILVYQATJ-NLYQEGKRSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | C H O N P S |