(2S,3S)-2-[[9-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Carbamoylamino]-3-Hydroxy-Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C24H31N8O16P++ |
IUPAC Name | (2s,3s)-2-[[9-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]carbamoylamino]-3-hydroxy-butanoic acid |
Molecular Mass | 718.521 g·mol−1 |
Heat of Formation | -2905.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.55 ± 1.08 D |
Volume | 738.53 Å 3 |
Surface Area | 552.48 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | -0.95 ± eV |
Point Group Symmetry | C1 |
InChIKey | BHQMXZXDZYOYHR-CTGBXSECSA-Q |
QR Code | Generate QR Code |
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Elements | P C H O N |