Ly-235,959

Molecule SVG Image

Properties Simple | Detailed

Formula C11H20NO5P
IUPAC Name (3s,4ar,6s,8ar)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Molecular Mass 277.254 g·mol−1
Heat of Formation -1275.1 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 319.99 Å 3
Surface Area 281.44 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4ar,6s,8ar)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
  • 3-isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-, (3alpha,4aalpha,6beta,8aalpha)-
  • 3-isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-, (3s-(3alpha,4aalpha,6beta,8aalpha))-
  • biomol-nt_000192
  • bpbio1_001216
  • decahydro-6-(phosphonomethyl)-3-isoquinolinecarboxylic acid
  • ly 235959
  • ly 274614
  • ly-235959
  • ly-274614
  • tocris-1019
CAS Number(s)
  • 136109-04-1
  • 137433-06-8
InChIKey STIRHCNEGQQBOY-QEYWKRMJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N