ChemSpider 2D Image | (3beta)-3-{[(Carboxymethyl)carbamoyl]oxy}-11-oxoolean-12-en-30-oic acid | C33H49NO7

(3β)-3-{[(Carboxymethyl)carbamoyl]oxy}-11-oxoolean-12-en-30-oic acid

  • Molecular FormulaC33H49NO7
  • Average mass571.745 Da
  • Monoisotopic mass571.350891 Da
  • ChemSpider ID26599990

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-{[(Carboxymethyl)carbamoyl]oxy}-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-{[(Carboxymethyl)carbamoyl]oxy}-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[(carboxyméthyl)carbamoyl]oxy}-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-[[[(carboxymethyl)amino]carbonyl]oxy]-11-oxo-, (3β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 381.9±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 153.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 71.94
ACD/KOC (pH 5.5): 114.54
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 130 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 466.8±5.0 cm3

Click to predict properties on the Chemicalize site


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