ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,11beta,13alpha)-13,18-Dihydroxy-15-oxokaur-16-en-11-yl acetate | C22H32O5

(5β,8α,9β,10α,11β,13α)-13,18-Dihydroxy-15-oxokaur-16-en-11-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID28424424

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,8α,9β,10α,11β,13α)-13,18-Dihydroxy-15-oxokaur-16-en-11-yl acetate [ACD/IUPAC Name]
(5β,8α,9β,10α,11β,13α)-13,18-Dihydroxy-15-oxokaur-16-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,8α,9β,10α,11β,13α)-13,18-dihydroxy-15-oxokaur-16-én-11-yle [French] [ACD/IUPAC Name]
[125164-55-8] [RN]
125164-55-8 [RN]
MFCD17214869
Rosthornin A

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 513.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 90.3±6.0 kJ/mol
    Flash Point: 173.8±23.6 °C
    Index of Refraction: 1.565
    Molar Refractivity: 100.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.57
    ACD/KOC (pH 5.5): 568.90
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.57
    ACD/KOC (pH 7.4): 568.90
    Polar Surface Area: 84 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 308.0±5.0 cm3

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