(3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxytetrahydro-2-Furanyl Hydrogen {9-[(3S,5S)-5-({[{[(2S,3R)-2,3-Dihydroxy-4-Methylpentanoyl]Amino}(Hydroxy)Phosphoryl]Oxy}Methyl)-3-Hydroxytetrahydro-2-Furanyl]-9H-Purin-6-Yl}Phosphoramidate
Properties
Property | Value |
---|---|
Formula | C22H36N6O16P2 |
IUPAC Name | [(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-n-[9-[(2r,3s,5s)-5-[[[[(2s,3r)-2,3-dihydroxy-4-methyl-pentanoyl]amino]-hydroxy-phosphoryl]oxymethyl]-3-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]phosphonamidic acid |
Molecular Mass | 702.499 g·mol−1 |
Heat of Formation | -3258.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.65 ± 1.08 D |
Volume | 751.87 Å 3 |
Surface Area | 600.63 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | -0.86 ± eV |
Point Group Symmetry | C1 |
InChIKey | FIMRCGIHIAIVOL-YCBWKIOVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |