(2S,6S)-6-Amino-2-[[(3S,4R,5R)-3-(6-Amino-8H-Purin-9-Ium-8-Ylium-9-Yl)-4,5-Dihydroxy-Cyclopenten-1-Yl]Methyl]-Blahcycloheptan-7-One
Properties
Property | Value |
---|---|
Formula | C16H22N6O4S |
IUPAC Name | (2s,6s)-6-amino-2-[[(3s,4r,5r)-3-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-4,5-dihydroxy-cyclopenten-1-yl]methyl]-blahcycloheptan-7-one |
Molecular Mass | 394.449 g·mol−1 |
Heat of Formation | -349.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.12 ± 1.08 D |
Volume | 438.45 Å 3 |
Surface Area | 374.84 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | -0.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | YWQARNLXBDAPTK-YRRQLQLVSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |