(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-[(4-Hydroxyphenyl)Methylamino]Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C17H19N5O5 |
IUPAC Name | (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol |
Molecular Mass | 373.363 g·mol−1 |
Heat of Formation | -552.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.12 ± 1.08 D |
Volume | 414.33 Å 3 |
Surface Area | 366.55 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | -0.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | GLLUZMMCVJNPSR-LSCFUAHRSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |