| Formula |
C21H28N5O6S+ |
| IUPAC Name |
(2s)-2-[[4-[(1r)-4-(2,4-diamino-6-oxo-1h-pyrimidin-1-ium-5-yl)-1-methylsulfanyl-butyl]benzoyl]amino]pentanedioic acid |
| Molecular Mass |
478.542 g·mol−1 |
| Heat of Formation |
-1040.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.00 ± 1.08 D |
| Volume |
556.35 Å 3 |
| Surface Area |
487.22 Å 2 |
| HOMO Energy |
-8.54 ± 0.55 eV |
| LUMO Energy |
-0.92 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GEZLAVXTPLTVRU-LSDHHAIUSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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