ChemSpider 2D Image | (3xi)-1,2-Dideoxy-4-O-{3-[(2,2-dimethylpropanoyl)oxy]propyl}-5,6-O-isopropylidene-D-erythro-hex-1-enitol | C17H30O6

(3ξ)-1,2-Dideoxy-4-O-{3-[(2,2-dimethylpropanoyl)oxy]propyl}-5,6-O-isopropylidene-D-erythro-hex-1-enitol

  • Molecular FormulaC17H30O6
  • Average mass330.417 Da
  • Monoisotopic mass330.204254 Da
  • ChemSpider ID44208926

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3ξ)-1,2-Dideoxy-4-O-{3-[(2,2-dimethylpropanoyl)oxy]propyl}-5,6-O-isopropylidene-D-erythro-hex-1-enitol [ACD/IUPAC Name]
(3ξ)-1,2-Didesoxy-4-O-{3-[(2,2-dimethylpropanoyl)oxy]propyl}-5,6-O-isopropyliden-D-erythro-hex-1-enitol [German] [ACD/IUPAC Name]
(3ξ)-1,2-Didésoxy-4-O-{3-[(2,2-diméthylpropanoyl)oxy]propyl}-5,6-O-isopropylidène-D-érythro-hex-1-énitol [French] [ACD/IUPAC Name]
D-erythro-Hex-1-enitol, 1,2-dideoxy-4-O-[3-(2,2-dimethyl-1-oxopropoxy)propyl]-5,6-O-(1-methylethylidene)-, (3ξ)- [ACD/Index Name]
200636-28-8 [RN]
3-(((1S)-1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxybut-3-en-1-yl)oxy)propyl pivalate
MFCD29472357

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 424.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.5±6.0 kJ/mol
    Flash Point: 142.1±22.2 °C
    Index of Refraction: 1.466
    Molar Refractivity: 86.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 85.21
    ACD/KOC (pH 5.5): 838.45
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 85.21
    ACD/KOC (pH 7.4): 838.45
    Polar Surface Area: 74 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 312.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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