ChemSpider 2D Image | S-[(3beta,16beta,20S)-3-(Methoxymethoxy)-17,20-epoxypregn-5-en-16-yl] dimethylcarbamothioate | C26H41NO4S

S-[(3β,16β,20S)-3-(Methoxymethoxy)-17,20-epoxypregn-5-en-16-yl] dimethylcarbamothioate

  • Molecular FormulaC26H41NO4S
  • Average mass463.673 Da
  • Monoisotopic mass463.275635 Da
  • ChemSpider ID30659247

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Carbamothioic acid, N,N-dimethyl-, S-[(3β,16β,20S)-17,20-epoxy-3-(methoxymethoxy)pregn-5-en-16-yl] ester [ACD/Index Name]
Diméthylcarbamothioate de S-[(3β,16β,20S)-3-(méthoxyméthoxy)-17,20-époxyprégn-5-én-16-yle] [French] [ACD/IUPAC Name]
S-[(3β,16β,20S)-3-(Methoxymethoxy)-17,20-epoxypregn-5-en-16-yl] dimethylcarbamothioate [ACD/IUPAC Name]
S-[(3β,16β,20S)-3-(Methoxymethoxy)-17,20-epoxypregn-5-en-16-yl]-dimethylcarbamothioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 284.8±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2047.58
ACD/KOC (pH 5.5): 8161.75
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2047.58
ACD/KOC (pH 7.4): 8161.75
Polar Surface Area: 77 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 393.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement