Formula |
C19H31N9O4 |
IUPAC Name |
(2s)-2-[5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]pentoxycarbonylamino]-5-guanidino-pentanoic acid |
Molecular Mass |
449.507 g·mol−1 |
Heat of Formation |
-534.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.32 ± 1.08 D |
Volume |
545.24 Å 3 |
Surface Area |
478.7 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-0.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WDXGFWJKUKJXAT-ZDUSSCGKSA-N |
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Elements |
H
C
O
N
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