4-(6-Amino-9H-Purin-9-Yl)-6-(Hydroxymethyl)Tetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-2-Olate 2-Sulfide
Properties
Property | Value |
---|---|
Formula | C10H12N5O5PS |
IUPAC Name | [(2r,3ar,4r,6r,6ar)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-sulfido-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ium-6-yl]methanol |
Molecular Mass | 345.272 g·mol−1 |
Heat of Formation | 151.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.38 ± 1.08 D |
Volume | 327.99 Å 3 |
Surface Area | 305.4 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | 0.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | OMSUUENXGWGOLC-LHKKBNDGSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P S C O N |