[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-3,6-Diid-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(10R,12S,14R,16S,18R,43S)-20-Carbamoyl-12,14-Dihydroxy-43-Oxo-37,38,40-Trioxa-27-Aza-43Λ5-Phosphatricyclo[Blah.Blah.Blah.Blah]Pentadeca-4(19),5(20)-Dien-43-Yl] Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C21H29N7O14P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-3,6-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(10r,12s,14r,16s,18r,43s)-20-carbamoyl-12,14-dihydroxy-43-oxo-37,38,40-trioxa-27-aza-43λ5-phosphatricyclo[blah.blah.blah.blah]pentadeca-4(19),5(20)-dien-43-yl] hydrogen phosphate |
Molecular Mass | 665.441 g·mol−1 |
Heat of Formation | -2747.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.92 ± 1.08 D |
Volume | 662.84 Å 3 |
Surface Area | 534.04 Å 2 |
HOMO Energy | -8.58 ± 0.55 eV |
LUMO Energy | -1.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | YPUOALVBXSGUMT-KMXXXSRASA-P |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |