4-Amino-6-Bromo-7-[(2S,3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carboxamide
Properties
Property | Value |
---|---|
Formula | C12H14BrN5O5 |
IUPAC Name | 4-amino-6-bromo-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide |
Molecular Mass | 388.174 g·mol−1 |
Heat of Formation | -713.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.03 ± 1.08 D |
Volume | 355.02 Å 3 |
Surface Area | 298.65 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | -1.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | SXWNOYUWGYYEHN-YJMZUNRSSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |