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

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

  • Molecular FormulaC28H34F3N3O7S
  • Average mass613.646 Da
  • Monoisotopic mass613.206970 Da
  • ChemSpider ID169677

  • defined stereocentres - 5 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-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 2-(4-{3-[2-(trifluorométhyl)-10H-phénothiazin-10-yl]propyl}-1-pipérazinyl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[2-(4-{3-[2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZIN-10-YL]PROPYL}PIPERAZIN-1-YL)ETHOXY]OXANE-2-CARBOXYLIC ACID
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[2-(4-{3-[2-(TRIFLUOROMETHYL)PHENOTHIAZIN-10-YL]PROPYL}PIPERAZIN-1-YL)ETHOXY]OXANE-2-CARBOXYLIC ACID
[133310-09-5] [RN]
133310-09-5 [RN]
2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl?-D-glucopyranosiduronic acid
7-Hfpgl
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    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

    Click to predict properties on the Chemicalize site


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