(2R,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl (3S,6A'R,7'S,9'R)-6-Bromo-6A',9'-Dihydroxy-9'-Methyl-1',2,3',10'-Tetraoxo-1,1',2,2',3',4',5',6',6A',7',9',10'-Dodecahydrospiro[Indole-3,8'-Pyrido[1,2-F]Pteridine]-7'-Carboxylate
Properties
Property | Value |
---|---|
Formula | C25H26BrN5O13 |
IUPAC Name | [(2s,3s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl] (6as,7r,8r,9s)-6'-bromo-6a,9-dihydroxy-9-methyl-1,2',3,10-tetraoxo-spiro[4,5,6,7-tetrahydropyrido[1,2-f]pteridine-8,3'-indoline]-7-carboxylate |
Molecular Mass | 684.404 g·mol−1 |
Heat of Formation | -2153.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.46 ± 1.08 D |
Volume | 655.73 Å 3 |
Surface Area | 467.64 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -0.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | BYUCWVNHAZPTMA-CRUFWYLASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |