(1S,2R,4As,8Ar)-1-{(3E)-5-[(6Z)-6-Imino-1,3-Dimethyl-1,2,3,6-Tetrahydro-7H-Purin-7-Yl]-3-Methyl-3-Penten-1-Yl}-1,2,5,5-Tetramethyloctahydro-4A(2H)-Naphthalenol
Properties
| Property | Value |
|---|---|
| Formula | C27H45N5O |
| IUPAC Name | (1s,2r,4as,8ar)-1-[(e)-5-(6-imino-1,3-dimethyl-2h-purin-9-ium-5-id-7-yl)-3-methyl-pent-3-enyl]-1,2,5,5-tetramethyl-decalin-4a-ol |
| Molecular Mass | 455.679 g·mol−1 |
| Heat of Formation | -198.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.09 ± 1.08 D |
| Volume | 592.73 Å 3 |
| Surface Area | 406.16 Å 2 |
| HOMO Energy | -8.15 ± 0.55 eV |
| LUMO Energy | 0.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UMYDEMPHXCZYBB-XFSIKYNXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |