ChemSpider 2D Image | (1S,2R,3S,4R)-4,5-Diacetoxy-1-cyano-1,2,3-pentanetriyl triacetate | C16H21NO10

(1S,2R,3S,4R)-4,5-Diacetoxy-1-cyano-1,2,3-pentanetriyl triacetate

  • Molecular FormulaC16H21NO10
  • Average mass387.339 Da
  • Monoisotopic mass387.116547 Da
  • ChemSpider ID27474259
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,2R,3S,4R)-4,5-Diacetoxy-1-cyan-1,2,3-pentantriyl-triacetat [German] [ACD/IUPAC Name]
(1S,2R,3S,4R)-4,5-Diacetoxy-1-cyano-1,2,3-pentanetriyl triacetate [ACD/IUPAC Name]
35439-42-0 [RN]
Triacétate de (1S,2R,3S,4R)-4,5-diacétoxy-1-cyano-1,2,3-pentanetriyle [French] [ACD/IUPAC Name]
(1S,2R,3S,4R)-1-Cyanopentane-1,2,3,4,5-pentayl pentaacetate
2,3,4,5,6-Penta-O-acetyl-D-galactononitrile
40732-44-3 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 494.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 214.7±18.9 °C
    Index of Refraction: 1.468
    Molar Refractivity: 84.8±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 1
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.56
    ACD/KOC (pH 5.5): 47.77
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.56
    ACD/KOC (pH 7.4): 47.77
    Polar Surface Area: 155 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 304.9±3.0 cm3

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