ChemSpider 2D Image | (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-one (non-preferred name) | C27H28O5

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC27H28O5
  • Average mass432.508 Da
  • Monoisotopic mass432.193665 Da
  • ChemSpider ID59760647

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-méthyltétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC Name]
(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-one
(3R,4S,5R,6R)-3,4,5-TRIS(BENZYLOXY)-TETRAHYDRO-6-METHYLPYRAN-2-ONE
1461750-25-3 [RN]
C[C@H]1OC(=O)[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1
MFCD29924782

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 585.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.5±3.0 kJ/mol
    Flash Point: 251.1±30.2 °C
    Index of Refraction: 1.596
    Molar Refractivity: 122.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.07
    ACD/LogD (pH 5.5): 5.47
    ACD/BCF (pH 5.5): 8507.16
    ACD/KOC (pH 5.5): 22621.96
    ACD/LogD (pH 7.4): 5.47
    ACD/BCF (pH 7.4): 8507.16
    ACD/KOC (pH 7.4): 22621.96
    Polar Surface Area: 54 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 50.2±5.0 dyne/cm
    Molar Volume: 361.0±5.0 cm3

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