ChemSpider 2D Image | (1xi)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(cyclopropyloxy)ethoxy]benzyl}phenyl)-D-glucitol | C24H29ClO7

(1ξ)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(cyclopropyloxy)ethoxy]benzyl}phenyl)-D-glucitol

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID27474139

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1ξ)-1,5-Anhydro-1-(4-chlor-3-{4-[2-(cyclopropyloxy)ethoxy]benzyl}phenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1ξ)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(cyclopropyloxy)ethoxy]benzyl}phenyl)-D-glucitol [ACD/IUPAC Name]
(1ξ)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(cyclopropyloxy)éthoxy]benzyl}phényl)-D-glucitol [French] [ACD/IUPAC Name]
(3R,4R,5S,6R)-2-(4-chloro-3-{[4-(2-cyclopropoxyethoxy)phenyl]methyl}phenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[2-(cyclopropyloxy)ethoxy]phenyl]methyl]phenyl]-, (1ξ)- [ACD/Index Name]
bexagliflozin [INN] [USAN]
EGT1442
MFCD22628819

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 671.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 359.6±31.5 °C
    Index of Refraction: 1.642
    Molar Refractivity: 119.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 134.84
    ACD/KOC (pH 5.5): 1164.50
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 134.84
    ACD/KOC (pH 7.4): 1164.49
    Polar Surface Area: 109 Å2
    Polarizability: 47.2±0.5 10-24cm3
    Surface Tension: 69.1±5.0 dyne/cm
    Molar Volume: 329.4±5.0 cm3

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