[(2R,3S,4S,5S)-5-[6-Amino-2-(3-Aminopropylsulfanyl)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C13H22N6O10P2S |
IUPAC Name | [(2r,3s,4s,5s)-5-[6-amino-2-(3-aminopropylsulfanyl)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate |
Molecular Mass | 516.361 g·mol−1 |
Heat of Formation | -2252.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.56 ± 1.08 D |
Volume | 522.64 Å 3 |
Surface Area | 381.32 Å 2 |
HOMO Energy | -8.53 ± 0.55 eV |
LUMO Energy | -1.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | JHMCKCNGXBZXFV-WJOUQXRDSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |