ChemSpider 2D Image | (2alpha,3beta)-N-Allyl-2,3-dihydroxyolean-12-en-28-amide | C33H53NO3

(2α,3β)-N-Allyl-2,3-dihydroxyolean-12-en-28-amide

  • Molecular FormulaC33H53NO3
  • Average mass511.779 Da
  • Monoisotopic mass511.402557 Da
  • ChemSpider ID31148626

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,3β)-N-Allyl-2,3-dihydroxyolean-12-en-28-amid [German] [ACD/IUPAC Name]
(2α,3β)-N-Allyl-2,3-dihydroxyolean-12-en-28-amide [ACD/IUPAC Name]
(2α,3β)-N-Allyl-2,3-dihydroxyoléan-12-én-28-amide [French] [ACD/IUPAC Name]
Olean-12-en-28-amide, 2,3-dihydroxy-N-2-propen-1-yl-, (2α,3β)- [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: 619.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 328.2±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 389384.59
ACD/KOC (pH 5.5): 349273.53
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 389385.03
ACD/KOC (pH 7.4): 349273.91
Polar Surface Area: 70 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 466.5±5.0 cm3

Click to predict properties on the Chemicalize site


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