1-[3-[[(2R,3S,4R,5R)-5-(4-Amino-5-Bromo-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylamino]Propyl]-3-(4-Tert-Butylphenyl)Urea
Properties
Property | Value |
---|---|
Formula | C25H36BrN7O4 |
IUPAC Name | 1-[3-[[(2r,3s,4r,5r)-5-(4-amino-5-bromo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]propyl]-3-(4-tert-butylphenyl)urea |
Molecular Mass | 578.502 g·mol−1 |
Heat of Formation | -495.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.70 ± 1.08 D |
Volume | 627.35 Å 3 |
Surface Area | 542.11 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | 2.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | JIQVJEHHDLMGGD-ZDXOVATRSA-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 |