ChemSpider 2D Image | BMS-639432 | C21H25ClO7

BMS-639432

  • Molecular FormulaC21H25ClO7
  • Average mass424.872 Da
  • Monoisotopic mass424.128876 Da
  • ChemSpider ID34984776

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{4-chlor-3-[(4-ethoxyphenyl)(hydroxy)methyl]phenyl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{4-chloro-3-[(4-ethoxyphenyl)(hydroxy)methyl]phenyl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{4-chloro-3-[(4-éthoxyphényl)(hydroxy)méthyl]phényl}-D-glucitol [French] [ACD/IUPAC Name]
1204222-85-4 [RN]
BMS-639432
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)hydroxymethyl]phenyl]-, (1S)- [ACD/Index Name]
(2s,3r,4r,5s,6r)-2-(4-chloro-3-((4-ethoxyphenyl)(hydroxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)-hydroxymethyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)(hydroxy)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
CS-15289
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4Q4V69OR2P [DBID]
UNII:4Q4V69OR2P [DBID]
UNII-4Q4V69OR2P [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 651.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 348.0±31.5 °C
    Index of Refraction: 1.630
    Molar Refractivity: 107.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.90
    ACD/KOC (pH 5.5): 204.92
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.90
    ACD/KOC (pH 7.4): 204.92
    Polar Surface Area: 120 Å2
    Polarizability: 42.5±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 301.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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