Formula |
C21H29N6O5P |
IUPAC Name |
isopropyl (2s)-2-[[[(1r)-2-(6-aminopurine-1,3,7-triium-9-yl)-1-methyl-ethoxy]methyl-phenoxy-phosphoryl]amino]propanoate |
Molecular Mass |
476.466 g·mol−1 |
Heat of Formation |
-822.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.52 ± 1.08 D |
Volume |
568.94 Å 3 |
Surface Area |
419.89 Å 2 |
HOMO Energy |
-8.29 ± 0.55 eV |
LUMO Energy |
-0.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KXELEHJSPYSODX-CAQYMETFSA-O |
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Elements |
P
C
H
O
N
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