(1Z,5S)-5-Carboxy-5-[(4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)Amino]-1-Diazonio-1-Penten-2-Olate
Properties
| Property | Value |
|---|---|
| Formula | C21H22N10O4 |
| IUPAC Name | [(5s)-5-carboxy-5-[[4-[(2,4-diaminopteridine-1,3,5,8-tetraium-6-yl)methyl-methyl-amino]benzoyl]amino]-2-oxo-pentyl]-λ1-azanyl-azanide |
| Molecular Mass | 478.464 g·mol−1 |
| Heat of Formation | -146.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.49 ± 1.08 D |
| Volume | 541.09 Å 3 |
| Surface Area | 413.89 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | -1.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RVEHPLJWMAKBOA-MZLJFPOFSA-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 |