ChemSpider 2D Image | (4xi)-4,5-Anhydro-1,2-dideoxy-1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-C-methyl-D-glycero-pentitol | C20H36O3

(4ξ)-4,5-Anhydro-1,2-dideoxy-1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-C-methyl-D-glycero-pentitol

  • Molecular FormulaC20H36O3
  • Average mass324.498 Da
  • Monoisotopic mass324.266449 Da
  • ChemSpider ID22870781

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4ξ)-4,5-Anhydro-1,2-dideoxy-1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-C-methyl-D-glycero-pentitol [ACD/IUPAC Name]
(4ξ)-4,5-Anhydro-1,2-didésoxy-1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tétraméthyldécahydro-1-naphtalényl]-3-C-méthyl-D-glycéro-pentitol [French] [ACD/IUPAC Name]
(4ξ)-4,5-Anhydro-1,2-didesoxy-1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalinyl]-3-C-methyl-D-glycero-pentitol [German] [ACD/IUPAC Name]
D-glycero-Pentitol, 4,5-anhydro-1-[(1R,2R,4aS,8aS)-decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-1,2-dideoxy-3-C-methyl-, (4ξ)- [ACD/Index Name]
(1R,2R,4aS,8aS)-1-[(3S)-3-hydroxy-3-(oxiran-2-yl)butyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
19884-93-6 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 424.7±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±6.0 kJ/mol
    Flash Point: 210.6±19.0 °C
    Index of Refraction: 1.509
    Molar Refractivity: 92.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.42
    ACD/LogD (pH 5.5): 4.12
    ACD/BCF (pH 5.5): 792.38
    ACD/KOC (pH 5.5): 4136.74
    ACD/LogD (pH 7.4): 4.12
    ACD/BCF (pH 7.4): 792.38
    ACD/KOC (pH 7.4): 4136.74
    Polar Surface Area: 53 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 311.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement