(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-6,8-Dihydro-9H-Purin-9-Yl)-2-(Hydroxymethyl)-4-Methoxytetrahydro-3-Furanyl]Oxy}(Hydroxy)Phosphoryl]Oxy}Methyl)-1-[(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidin-7-Yl)Methyl]-3-Pyrrolidinyl}Oxy)(Hydroxy)Phosphoryl]Oxy}Methyl)-4-Methoxytetrahydro-3-Furanyl 3-Hydroxypropyl Hydrogen Phosphate (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C37H52N15O20P3 |
IUPAC Name | (2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[({(3r,4r)-4-({[{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydro-3-furanyl 3-hydroxypropyl hydrogen phosphate (non-preferred name) |
Molecular Mass | 1119.819 g·mol−1 |
Heat of Formation | 1040.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 35.92 ± 1.08 D |
Volume | 1040.75 Å 3 |
Surface Area | 762.51 Å 2 |
HOMO Energy | -7.73 ± 0.55 eV |
LUMO Energy | -4.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | XYVXLTGAFUOPLT-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |