ChemSpider 2D Image | (3beta)-3,30-Dihydroxyurs-12-en-28-oic acid | C30H48O4

(3β)-3,30-Dihydroxyurs-12-en-28-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID28424453

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3,30-Dihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3,30-Dihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3,30-dihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,30-dihydroxy-, (3β)- [ACD/Index Name]
[80489-65-2] [RN]
80489-65-2 [RN]
MFCD17214916
Rubifolic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 592.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±6.0 kJ/mol
    Flash Point: 326.4±26.6 °C
    Index of Refraction: 1.568
    Molar Refractivity: 135.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 7.00
    ACD/LogD (pH 5.5): 5.97
    ACD/BCF (pH 5.5): 12128.46
    ACD/KOC (pH 5.5): 15860.76
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 190.79
    ACD/KOC (pH 7.4): 249.50
    Polar Surface Area: 78 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 413.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement