(3S,5Z,7E,14Xi)-25-Hydroxy-9,10-Secocholesta-5,7,10-Trien-3-Yl N-(4-Azido-2-Nitrophenyl)Glycinate

Molecule SVG Image

Properties Simple | Detailed

Formula C35H49N5O5
IUPAC Name 7-[(1e,5e)-6-[(e)-2-[5-[2-(4-azido-2-nitro-benzene-3,5,6-triid-1-yl)azanidylacetyl]oxy-2-methyl-benzene-3,4,6-triid-1-yl]vinyl]-2-methyl-cyclonona-1,5,7,8-tetraen-3-yn-1-yl]oct-7-en-1,3,5-triyn-1-olate
Molecular Mass 619.794 g·mol−1
Heat of Formation -320.3 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 788.82 Å 3
Surface Area 631.44 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-azido-2-nitro-phenyl)amino]acetic acid [(1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] ester
  • 2-[(4-azido-2-nitrophenyl)amino]acetic acid [(1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl] ester
  • [(1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] 2-[(4-azido-2-nitro-phenyl)amino]acetate
  • [(1s,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexyl] 2-[(4-azido-2-nitro-phenyl)amino]ethanoate
InChIKey SAGRKFMIWKIUIV-JQZXETNJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N