ChemSpider 2D Image | (2beta,5beta,6beta,8alpha,9beta,10alpha,13alpha,16beta)-6,16-Dihydroxykauran-2-yl beta-D-allopyranoside | C26H44O8

(2β,5β,6β,8α,9β,10α,13α,16β)-6,16-Dihydroxykauran-2-yl β-D-allopyranoside

  • Molecular FormulaC26H44O8
  • Average mass484.623 Da
  • Monoisotopic mass484.303619 Da
  • ChemSpider ID28424540

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2β,5β,6β,8α,9β,10α,13α,16β)-6,16-Dihydroxykauran-2-yl β-D-allopyranoside [ACD/IUPAC Name]
(2β,5β,6β,8α,9β,10α,13α,16β)-6,16-Dihydroxykauran-2-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (2β,5β,6β,8α,9β,10α,13α,16β)-6,16-dihydroxykauran-2-yle [French] [ACD/IUPAC Name]
(2R,3R,4R,5S,6R)-2-(((2R,4aR,5R,6aR,8R,9R,11aR,11bS)-5,8-Dihydroxy-4,4,8,11b-tetramethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
??-D-Allopyranoside, (2??,6??)-6,16-dihydroxykauran-2-yl
[195735-16-1] [RN]
195735-16-1 [RN]
2,6,16-Kauranetriol 2-O-β-D-allopyranoside
MFCD17214897
β-D-Allopyranoside, (2β,6β)-6,16-dihydroxykauran-2-yl

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 654.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.3±6.0 kJ/mol
    Flash Point: 349.5±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 124.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.89
    ACD/KOC (pH 5.5): 108.41
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 4.89
    ACD/KOC (pH 7.4): 108.40
    Polar Surface Area: 140 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 64.3±5.0 dyne/cm
    Molar Volume: 364.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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