ChemSpider 2D Image | (2alpha,3beta,5xi,6beta,9xi,18xi)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid | C30H48O6

(2α,3β,5ξ,6β,9ξ,18ξ)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID13076650

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(2α,3β,5ξ,6β,9ξ,18ξ)-2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,5ξ,6β,9ξ,18ξ)-2,3,6,23-Tetrahydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β,5ξ,6β,9ξ,18ξ)-2,3,6,23-tétrahydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2α,3β,5ξ,6β,9ξ,18ξ)- [ACD/Index Name]
(1S,2R,4aS,6aS,6bR,8R,9R,10R,11R,12aR)-8,10,11-Trihydroxy-9-hydroxymethyl-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid
[18449-41-7] [RN]
125265-67-0 [RN]
18449-41-7 [RN]
2a,3b,6b,23-Tetrahydroxy-urs-12-en-28-oic acid
6b-Hydroxyasiatic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 641.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.5±6.0 kJ/mol
    Flash Point: 355.9±28.0 °C
    Index of Refraction: 1.591
    Molar Refractivity: 138.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 4.99
    ACD/LogD (pH 5.5): 4.09
    ACD/BCF (pH 5.5): 457.02
    ACD/KOC (pH 5.5): 1522.60
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 7.19
    ACD/KOC (pH 7.4): 23.96
    Polar Surface Area: 118 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 57.2±5.0 dyne/cm
    Molar Volume: 408.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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