[[(2R,3S,4S)-5-[(Acetylcarbamoylamino)Methyl-[(3S,4R)-6-Amino-3,4-Dimethyl-Hexyl]Amino]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C27H49N9O15P2 |
IUPAC Name | [[(2r,3s,4s)-5-[(acetylcarbamoylamino)methyl-[(3s,4r)-6-amino-3,4-dimethyl-hexyl]amino]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 801.677 g·mol−1 |
Heat of Formation | -3286.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.85 ± 1.08 D |
Volume | 885.84 Å 3 |
Surface Area | 688.44 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | -1.45 ± eV |
Point Group Symmetry | C1 |
InChIKey | GXAQOPQBDYJNIO-CCGDWWFSSA-N |
QR Code | Generate QR Code |
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Elements | P C H O N |