N-[4-(3-Amino-1-Hydroxy-5,6,6A,7,9,9A-Hexahydro-8H-Pyrrolo[3',4':4,5]Pyrido[2,3-D]Pyrimidin-8-Yl)Benzoyl]Glutamic Acid
Properties
Property | Value |
---|---|
Formula | C21H24N6O6 |
IUPAC Name | (2s)-2-[[4-[(6ar,8s,9as)-3-amino-1-oxo-5,6,6a,7,9,9a-hexahydropyrrolo[1,2]pyrido[4,5-b]pyrimidin-4-ium-2-id-8-yl]benzoyl]amino]pentanedioic acid |
Molecular Mass | 456.452 g·mol−1 |
Heat of Formation | -854.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 14.19 ± 1.08 D |
Volume | 519.37 Å 3 |
Surface Area | 443.86 Å 2 |
HOMO Energy | -8.38 ± 0.55 eV |
LUMO Energy | -0.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | RQJAUJZEWQYMCU-XBFCOCLRSA-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 |