[(1R,2S,4S,5S)-4-[2-Iodo-6-(Methylamino)-9H-Purin-9-Yl]-2-(Phosphonooxy)Bicyclo[3.1.0]Hex-1-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C13H18IN5O8P2 |
IUPAC Name | [(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate |
Molecular Mass | 561.163 g·mol−1 |
Heat of Formation | -1699.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.64 ± 1.08 D |
Volume | 484.96 Å 3 |
Surface Area | 385.89 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | 2.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | NMVWLEUONAKGCD-SMWKGLLFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C I H O N P |