ChemSpider 2D Image | (3beta,22S,24E)-3,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid | C34H50O6

(3β,22S,24E)-3,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid

  • Molecular FormulaC34H50O6
  • Average mass554.757 Da
  • Monoisotopic mass554.360718 Da
  • ChemSpider ID58914778

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,22S,24E)-3,22-Diacetoxylanosta-7,9(11),24-trien-26-oic acid [ACD/IUPAC Name]
(3β,22S,24E)-3,22-Diacetoxylanosta-7,9(11),24-trien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,22S,24E)-3,22-diacétoxylanosta-7,9(11),24-trién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-26-oic acid, 3,22-bis(acetyloxy)-, (3β,22S,24E)- [ACD/Index Name]
(22S,24E)-3β,22-diacetoxylanosta-7,9(11),24-trien-26-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 195.9±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 7.54
ACD/BCF (pH 5.5): 209051.55
ACD/KOC (pH 5.5): 136417.48
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 3390.92
ACD/KOC (pH 7.4): 2212.76
Polar Surface Area: 90 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 492.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement