Benzyl N-[(1S)-1-[[(1S,2S)-3-[3-(6-Aminopurine-1,3,7-Triium-9-Yl)Propylamino]-1-Ethyl-2-Hydroxy-3-Oxo-Propyl]Carbamoyl]-3-Methyl-Butyl]Carbamate
Properties
Property | Value |
---|---|
Formula | C27H40N8O5 |
IUPAC Name | benzyl n-[(1s)-1-[[(1s,2s)-3-[3-(6-aminopurine-1,3,7-triium-9-yl)propylamino]-1-ethyl-2-hydroxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate |
Molecular Mass | 556.657 g·mol−1 |
Heat of Formation | -737.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.06 ± 1.08 D |
Volume | 676.02 Å 3 |
Surface Area | 582.08 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | VSQVDWBRFZXLMX-ONTIZHBOSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |