(2S)-2-[[4-[(3E)-3-(2-Amino-4-Oxo-1,5-Dihydropteridine-3,8-Diium-4A-Id-6-Ylidene)-4-Methyl-2-Oxo-Pyrrol-1-Yl]Benzoyl]Amino]Pentanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H29N7O7++ |
| IUPAC Name | (2s)-2-[[4-[(3e)-3-[(2r,4as,8as)-2-amino-4-oxo-1,2,3,4a,5,7,8,8a-octahydropteridine-1,5-diium-6-ylidene]-4-methyl-2-oxo-pyrrol-1-yl]benzoyl]amino]pentanedioic acid |
| Molecular Mass | 515.519 g·mol−1 |
| Heat of Formation | -824.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.24 ± 1.08 D |
| Volume | 548.22 Å 3 |
| Surface Area | 484.57 Å 2 |
| HOMO Energy | -8.28 ± 0.55 eV |
| LUMO Energy | 1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FFVCRPWAQHYCJS-XREWMRGISA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |