ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-Trimethyl-2-thioxooctadecahydrospiro[indeno[5,4-f]quinoline-7,2'-pyran]-6'(3'H)-one | C23H35NO2S

(4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-Trimethyl-2-thioxooctadecahydrospiro[indeno[5,4-f]quinoline-7,2'-pyran]-6'(3'H)-one

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID24656101

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-Trimethyl-2-thioxooctadecahydrospiro[indeno[5,4-f]quinoline-7,2'-pyran]-6'(3'H)-one [ACD/IUPAC Name]
Spiro[7H-indeno[5,4-f]quinoline-7,2'-[2H]pyran]-6'(3'H)-one, octadecahydro-1,4a,6a-trimethyl-2-thioxo-, (4aR,4bS,6aS,7S,9aS,9bR,11aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.58
ACD/KOC (pH 5.5): 3166.85
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 545.66
ACD/KOC (pH 7.4): 3167.30
Polar Surface Area: 62 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

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