ChemSpider 2D Image | (3alpha)-23-{[(1S)-1-Carboxy-2-hydroxyethyl]amino}-3-hydroxy-23-oxolup-20(29)-en-28-oic acid | C33H51NO7

(3α)-23-{[(1S)-1-Carboxy-2-hydroxyethyl]amino}-3-hydroxy-23-oxolup-20(29)-en-28-oic acid

  • Molecular FormulaC33H51NO7
  • Average mass573.760 Da
  • Monoisotopic mass573.366577 Da
  • ChemSpider ID8730528

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3α)-23-{[(1S)-1-Carboxy-2-hydroxyethyl]amino}-3-hydroxy-23-oxolup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3α)-23-{[(1S)-1-Carboxy-2-hydroxyethyl]amino}-3-hydroxy-23-oxolup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3α)-23-{[(1S)-1-carboxy-2-hydroxyéthyl]amino}-3-hydroxy-23-oxolup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 23-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-23-oxo-, (3α)- [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: 756.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 153.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 4.41
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 474.4±3.0 cm3

Click to predict properties on the Chemicalize site


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