N-[4-(1,3-Diamino-7,8,9,10-Tetrahydropyrimido[4,5-C]Isoquinolin-8-Yl)Benzoyl]-L-Glutamic Acid
Properties
Property | Value |
---|---|
Formula | C23H24N6O5 |
IUPAC Name | (2r)-2-[[4-[(8r)-1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-2,4,5-triium-10b-id-8-yl]benzoyl]amino]pentanedioic acid |
Molecular Mass | 464.474 g·mol−1 |
Heat of Formation | 2815.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.49 ± 1.08 D |
Volume | 475.92 Å 3 |
Surface Area | 432.31 Å 2 |
HOMO Energy | -9.56 ± 0.55 eV |
LUMO Energy | -5.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | TWQHKMFGGWXDNM-CJNGLKHVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |