(5R,10S)-N-(3-{4-[(2E)-3-{[2-(2-Amino-1H-Imidazol-5-Yl)Ethyl]Amino}-2-(Hydroxyimino)-3-Oxopropyl]-2,6-Dibromophenoxy}Propyl)-7,9-Dibromo-10-Hydroxy-8-Methoxy-1-Oxa-2-Azaspiro[4.5]Deca-2,6,8-Triene-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C27H29Br4N7O7
IUPAC Name (5r,6s)-n-[3-[4-[(2e)-3-[2-(2-amino-1h-imidazol-5-yl)ethylamino]-2-hydroxyimino-3-oxo-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 883.178 g·mol−1
Heat of Formation -512.4 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 800.98 Å 3
Surface Area 524.16 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-n-[3-[4-[(2e)-3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroximino-3-keto-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5r,6s)-n-[3-[4-[(2e)-3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroxyimino-3-oxo-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • purealin
InChIKey FFJLRVBPVWKFTA-XDLMQZPOSA-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