ChemSpider 2D Image | (5aS,10R)-10-(3,4,5-Trimethoxyphenyl)-7-trityl-6,7-dihydro-10H-[1,3]dioxolo[4,5-g]imidazo[5,1-b][1,3]benzothiazin-8(5aH)-one | C39H34N2O6S

(5aS,10R)-10-(3,4,5-Trimethoxyphenyl)-7-trityl-6,7-dihydro-10H-[1,3]dioxolo[4,5-g]imidazo[5,1-b][1,3]benzothiazin-8(5aH)-one

  • Molecular FormulaC39H34N2O6S
  • Average mass658.762 Da
  • Monoisotopic mass658.213745 Da
  • ChemSpider ID8207876

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5aS,10R)-10-(3,4,5-Trimethoxyphenyl)-7-trityl-6,7-dihydro-10H-[1,3]dioxolo[4,5-g]imidazo[5,1-b][1,3]benzothiazin-8(5aH)-on [German] [ACD/IUPAC Name]
(5aS,10R)-10-(3,4,5-Trimethoxyphenyl)-7-trityl-6,7-dihydro-10H-[1,3]dioxolo[4,5-g]imidazo[5,1-b][1,3]benzothiazin-8(5aH)-one [ACD/IUPAC Name]
(5aS,10R)-10-(3,4,5-Triméthoxyphényl)-7-trityl-6,7-dihydro-10H-[1,3]dioxolo[4,5-g]imidazo[5,1-b][1,3]benzothiazin-8(5aH)-one [French] [ACD/IUPAC Name]
10H-1,3-Dioxolo[4,5-g]imidazo[5,1-b][1,3]benzothiazin-8(5aH)-one, 6,7-dihydro-10-(3,4,5-trimethoxyphenyl)-7-(triphenylmethyl)-, (5aS,10R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.5±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 297441.81
ACD/KOC (pH 5.5): 288028.19
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 297441.81
ACD/KOC (pH 7.4): 288028.19
Polar Surface Area: 95 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 468.3±5.0 cm3

Click to predict properties on the Chemicalize site


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