Formula |
C15H21N6O5S+ |
IUPAC Name |
[(3s)-3-amino-3-carboxy-propyl]-[(2r)-2-[(1s)-1-(6-aminopurine-1,3,7-triium-9-yl)-2-oxo-ethoxy]-3-oxo-propyl]-methyl-sulfonium |
Molecular Mass |
397.429 g·mol−1 |
Heat of Formation |
928.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.09 ± 1.08 D |
Volume |
363.68 Å 3 |
Surface Area |
315.65 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
-2.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XQCQSVQZQVSOQM-CLDBXUFKSA-O |
QR Code |
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Links |
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Downloads |
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Elements |
S
C
O
N
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