Found 79 results

Search term: MF = 'C_{32}H_{49}NO_{4}'
ChemSpider 2D Image | 2-Aminoethyl (3beta,5xi,9xi)-3-hydroxy-22-oxooleana-11,13(18)-dien-29-oate | C32H49NO4

2-Aminoethyl (3β,5ξ,9ξ)-3-hydroxy-22-oxooleana-11,13(18)-dien-29-oate

  • Molecular FormulaC32H49NO4
  • Average mass511.736 Da
  • Monoisotopic mass511.366150 Da
  • ChemSpider ID17460613

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,5ξ,9ξ)-3-Hydroxy-22-oxooléana-11,13(18)-dién-29-oate de 2-aminoéthyle [French] [ACD/IUPAC Name]
2-Aminoethyl (3β,5ξ,9ξ)-3-hydroxy-22-oxooleana-11,13(18)-dien-29-oate [ACD/IUPAC Name]
2-Aminoethyl-(3β,5ξ,9ξ)-3-hydroxy-22-oxooleana-11,13(18)-dien-29-oat [German] [ACD/IUPAC Name]
Oleana-11,13(18)-dien-29-oic acid, 3-hydroxy-22-oxo-, 2-aminoethyl ester, (3β,5ξ,9ξ)- [ACD/Index Name]
(2S,4aR,6aS,6bR,10S,12aS)-2-aminoethyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 612.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±6.0 kJ/mol
    Flash Point: 324.2±31.5 °C
    Index of Refraction: 1.567
    Molar Refractivity: 146.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.59
    ACD/LogD (pH 5.5): 4.61
    ACD/BCF (pH 5.5): 602.09
    ACD/KOC (pH 5.5): 884.68
    ACD/LogD (pH 7.4): 6.26
    ACD/BCF (pH 7.4): 26793.77
    ACD/KOC (pH 7.4): 39369.60
    Polar Surface Area: 90 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 48.1±5.0 dyne/cm
    Molar Volume: 448.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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