ChemSpider 2D Image | (3alpha,22S,24E)-3,22-Diacetoxy-7-oxolanosta-8,24-dien-26-oic acid | C34H50O7

(3α,22S,24E)-3,22-Diacetoxy-7-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID58914771

  • 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

(3α,22S,24E)-3,22-Diacetoxy-7-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3α,22S,24E)-3,22-Diacetoxy-7-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,22S,24E)-3,22-diacétoxy-7-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,22-bis(acetyloxy)-7-oxo-, (3α,22S,24E)- [ACD/Index Name]
(22S,24E)-3α,22-diacetoxy-7-oxolanosta-8,24-dien-26-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 201.0±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 20843.04
ACD/KOC (pH 5.5): 26187.02
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 338.06
ACD/KOC (pH 7.4): 424.73
Polar Surface Area: 107 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 495.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement