ChemSpider 2D Image | 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl beta-L-glycero-hexopyranosiduronic acid | C28H34F3N3O7S

2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl β-L-glycero-hexopyranosiduronic acid

  • Molecular FormulaC28H34F3N3O7S
  • Average mass613.646 Da
  • Monoisotopic mass613.206970 Da
  • ChemSpider ID23976219
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

2-(4-{3-[2-(Trifluormethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl-β-L-glycero-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl β-L-glycero-hexopyranosiduronic acid [ACD/IUPAC Name]
Acide β-L-glycéro-hexopyranosiduronique de 2-(4-{3-[2-(trifluorométhyl)-10H-phénothiazin-10-yl]propyl}-1-pipérazinyl)éthyle [French] [ACD/IUPAC Name]
β-L-glycero-Hexopyranosiduronic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl [ACD/Index Name]
133310-09-5 [RN]
Fluphenazine ¦Â-D-Glucuronide
Fluphenazine β-D-Glucuronide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 778.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 424.9±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 401.3±5.0 cm3

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