2-Amino-9-[(2R,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-[(E)-(1-Hydroxy-3H-Quinolin-1-Ium-3-Id-4-Ylidene)Amino]-8H-Purin-3-Ium-1-Id-6-One
Properties
Property | Value |
---|---|
Formula | C19H21N7O6 |
IUPAC Name | 2-amino-9-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[(e)-(1-hydroxy-4-quinolylidene)amino]-3,8-dihydropurin-6-one |
Molecular Mass | 443.413 g·mol−1 |
Heat of Formation | -381.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.66 ± 1.08 D |
Volume | 481.07 Å 3 |
Surface Area | 401.69 Å 2 |
HOMO Energy | -8.16 ± 0.55 eV |
LUMO Energy | 2.48 ± eV |
Point Group Symmetry | C1 |
InChIKey | HMMTWBPDGQTABW-BRKVTJKNSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |