Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | (3beta,28R)-28-Hydroxy-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl acetate | C36H56O5

(3β,28R)-28-Hydroxy-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl acetate

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID24644859

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,28R)-28-Hydroxy-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl acetate [ACD/IUPAC Name]
(3β,28R)-28-Hydroxy-28-[(3R)-2-oxotetrahydro-3-furanyl]lup-20(29)-en-3-yl-acetat [German] [ACD/IUPAC Name]
2(3H)-Furanone, 3-[(3β,28R)-3-(acetyloxy)-28-hydroxylup-20(29)-en-28-yl]dihydro-, (3R)- [ACD/Index Name]
Acétate de (3β,28R)-28-hydroxy-28-[(3R)-2-oxotétrahydro-3-furanyl]lup-20(29)-én-3-yle [French] [ACD/IUPAC 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: 637.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 190.3±15.3 °C
Index of Refraction: 1.547
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 962034.25
ACD/KOC (pH 5.5): 667323.69
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 962034.25
ACD/KOC (pH 7.4): 667323.69
Polar Surface Area: 73 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 508.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement