ChemSpider 2D Image | 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 10-undecenoate | C32H48O6

11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 10-undecenoate

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID21164568

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

10-Undécénoate de 11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
10-Undecenoic acid, 11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 10-undecenoate [ACD/IUPAC Name]
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-10-undecenoat [German] [ACD/IUPAC Name]
285-304-3 [EINECS]
85068-43-5 [RN]
Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-[(1-oxo-10-undecenyl)oxy]-, (11β)-
11β,17,21-trihydroxypregn-4-ene-3,20-dione 21-undec-10-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 206.2±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20245.42
ACD/KOC (pH 5.5): 42077.98
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20245.18
ACD/KOC (pH 7.4): 42077.47
Polar Surface Area: 101 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 459.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement