ChemSpider 2D Image | 3-O-acetyluncaric acid | C32H50O6

3-O-acetyluncaric acid

  • Molecular FormulaC32H50O6
  • Average mass530.736 Da
  • Monoisotopic mass530.360718 Da
  • ChemSpider ID26631694
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β,6β)-3-Acetoxy-6,19-dihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(3β,6β)-3-Acetoxy-6,19-dihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
3-O-acetyluncaric acid
Acide (3β,6β)-3-acétoxy-6,19-dihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-(acetyloxy)-6,19-dihydroxy-, (3β,6β)- [ACD/Index Name]
3β-O-acetyl-6β,19α-diol-12-ursen-28-oic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 192.4±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 4494.09
ACD/KOC (pH 5.5): 6953.33
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 71.36
ACD/KOC (pH 7.4): 110.40
Polar Surface Area: 104 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 448.3±5.0 cm3

Click to predict properties on the Chemicalize site






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