ChemSpider 2D Image | (3a'R,5'R,6'S,6a'R)-6'-(Benzyloxy)-5'-[(2R)-1,4-dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole] | C25H34O6

(3a'R,5'R,6'S,6a'R)-6'-(Benzyloxy)-5'-[(2R)-1,4-dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]

  • Molecular FormulaC25H34O6
  • Average mass430.534 Da
  • Monoisotopic mass430.235535 Da
  • ChemSpider ID29766380

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3a'R,5'R,6'S,6a'R)-6'-(Benzyloxy)-5'-[(2R)-1,4-dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole] [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-phenylmethoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 551.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.1±3.0 kJ/mol
    Flash Point: 220.0±30.0 °C
    Index of Refraction: 1.577
    Molar Refractivity: 114.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.72
    ACD/LogD (pH 5.5): 5.79
    ACD/BCF (pH 5.5): 14691.13
    ACD/KOC (pH 5.5): 33447.67
    ACD/LogD (pH 7.4): 5.79
    ACD/BCF (pH 7.4): 14691.13
    ACD/KOC (pH 7.4): 33447.67
    Polar Surface Area: 55 Å2
    Polarizability: 45.5±0.5 10-24cm3
    Surface Tension: 50.1±5.0 dyne/cm
    Molar Volume: 346.6±5.0 cm3

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