ChemSpider 2D Image | 3-(progesterone-7alpha-yl)thiopropionic acid | C24H34O4S

3-(progesterone-7α-yl)thiopropionic acid

  • Molecular FormulaC24H34O4S
  • Average mass418.589 Da
  • Monoisotopic mass418.217773 Da
  • ChemSpider ID26332482

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-(progesterone-7α-yl)thiopropionic acid
3-{[(7α,8ξ)-3,20-Dioxopregn-4-en-7-yl]sulfanyl}propanoic acid [ACD/IUPAC Name]
3-{[(7α,8ξ)-3,20-Dioxopregn-4-en-7-yl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
40845-01-0 [RN]
Acide 3-{[(7α,8ξ)-3,20-dioxoprégn-4-én-7-yl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(7α,8ξ)-3,20-dioxopregn-4-en-7-yl]thio]- [ACD/Index Name]
3-(pregn-4-ene-3,20-dione-7α-yl)thiopropanoic acid
3-{[(7α)-3,20-dioxopregn-4-en-7-yl]sulfanyl}propanoic acid
7-(carboxyethylthio)progesterone
7α-(carboxyethylthio)-P4
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 23.11
ACD/KOC (pH 5.5): 151.19
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 97 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 346.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement