ChemSpider 2D Image | (4aS,5aR,9aS,11R)-7,8-Bis(2-hydroxyphenyl)-1,2,4,4a,5,5a,9a,10-octahydro[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinolin-11-ium-2-olate 2-oxide | C22H23N2O5P

(4aS,5aR,9aS,11R)-7,8-Bis(2-hydroxyphenyl)-1,2,4,4a,5,5a,9a,10-octahydro[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinolin-11-ium-2-olate 2-oxide

  • Molecular FormulaC22H23N2O5P
  • Average mass426.402 Da
  • Monoisotopic mass426.134460 Da
  • ChemSpider ID62336846

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aS,5aR,9aS,11R) 2-Oxyde de 7,8-bis(2-hydroxyphényl)-1,2,4,4a,5,5a,9a,10-octahydro[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinoléin-11-ium-2-olate [French] [ACD/IUPAC Name]
(4aS,5aR,9aS,11R)-7,8-Bis(2-hydroxyphenyl)-1,2,4,4a,5,5a,9a,10-octahydro[1,3,4,2]oxadiazaphosphinino[4,5-b]isochinolin-11-ium-2-olat-2-oxid [German] [ACD/IUPAC Name]
(4aS,5aR,9aS,11R)-7,8-Bis(2-hydroxyphenyl)-1,2,4,4a,5,5a,9a,10-octahydro[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinolin-11-ium-2-olate 2-oxide [ACD/IUPAC Name]
[1,3,4,2]Oxadiazaphosphorino[4,5-b]isoquinolinium, 1,2,4,4a,5,5a,9a,10-octahydro-2-hydroxy-7,8-bis(2-hydroxyphenyl)-, inner salt, 2-oxide, (4aS,5aR,9aS,11R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 629.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.3±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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