ChemSpider 2D Image | Pulchinenoside A | C41H66O12

Pulchinenoside A

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID9896563

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β)-3-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
129724-84-1 [RN]
Acide (3β)-3-{[2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]
Pulchinenoside A
(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-(((2S,3R,4S,5S)-4,5-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
23-hydroxy-3β-[(O-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid,
Anemoside A3
anemosidea3
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 846.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 139.8±6.0 kJ/mol
    Flash Point: 249.6±27.8 °C
    Index of Refraction: 1.597
    Molar Refractivity: 194.7±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 4
    ACD/LogP: 8.26
    ACD/LogD (pH 5.5): 4.29
    ACD/BCF (pH 5.5): 635.84
    ACD/KOC (pH 5.5): 1899.60
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 9.99
    ACD/KOC (pH 7.4): 29.86
    Polar Surface Area: 196 Å2
    Polarizability: 77.2±0.5 10-24cm3
    Surface Tension: 62.6±5.0 dyne/cm
    Molar Volume: 571.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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