ChemSpider 2D Image | 1-O-{4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoyl}-beta-D-glucopyranuronic acid | C18H19ClN2O11S

1-O-{4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoyl}-β-D-glucopyranuronic acid

  • Molecular FormulaC18H19ClN2O11S
  • Average mass506.868 Da
  • Monoisotopic mass506.039795 Da
  • ChemSpider ID19988008

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-{4-Chlor-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
1-O-{4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
72967-59-0 [RN]
Acide 1-O-{4-chloro-2-[(2-furylméthyl)amino]-5-sulfamoylbenzoyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-[5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoate]
β-D-Glucopyranuronic acid, 1-(5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)benzoate)
β-D-Glucopyranuronic acid, 1-[5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoate] [ACD/Index Name]
1-O-{4-Chloro-2-[(2-furylmethyl)amino]-5-sulfamoylbenzoyl}-D-glucopyranuronic acid [ACD/IUPAC Name]
Furosemide acyl glucuronide
Furosemide acyl-b-D-glucuronide
More...

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 810.3±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 123.5±3.0 kJ/mol
    Flash Point: 443.9±37.1 °C
    Index of Refraction: 1.701
    Molar Refractivity: 109.6±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 2.90
    ACD/LogD (pH 5.5): -2.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 227 Å2
    Polarizability: 43.5±0.5 10-24cm3
    Surface Tension: 103.9±5.0 dyne/cm
    Molar Volume: 283.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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