(2S)-6-[(4-Azido-2-Hydroxy-5-Iodo-Benzoyl)Amino]-2-[[4-[(2,4-Diaminopteridine-1,3,5,8-Tetraium-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Hexanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H31IN12O5 |
| IUPAC Name | (2s)-6-[(4-azido-2-hydroxy-5-iodo-benzoyl)amino]-2-[[4-[(2,4-diaminopteridine-1,3,5,8-tetraium-6-yl)methyl-methyl-amino]benzoyl]amino]hexanoic acid |
| Molecular Mass | 742.528 g·mol−1 |
| Heat of Formation | -161.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.27 ± 1.08 D |
| Volume | 737.47 Å 3 |
| Surface Area | 518.92 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | -1.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WVBGKHKEVUVOOZ-IBGZPJMESA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C O N |