Found 1 result

Search term: MTLHHWUQKRPSDW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,16beta)-3,16-Dihydroxylup-20(30)-en-29-al | C30H48O3

(3β,16β)-3,16-Dihydroxylup-20(30)-en-29-al

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID34220708

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,16β)-3,16-Dihydroxylup-20(30)-en-29-al [German] [ACD/IUPAC Name]
(3β,16β)-3,16-Dihydroxylup-20(30)-en-29-al [ACD/IUPAC Name]
(3β,16β)-3,16-Dihydroxylup-20(30)-én-29-al [French] [ACD/IUPAC Name]
Lup-20(30)-en-29-al, 3,16-dihydroxy-, (3β,16β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 303.9±19.7 °C
Index of Refraction: 1.532
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47402.45
ACD/KOC (pH 5.5): 77360.76
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47402.45
ACD/KOC (pH 7.4): 77360.76
Polar Surface Area: 58 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


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