ChemSpider 2D Image | TAS-108 FREE BASE | C33H47NO3

TAS-108 FREE BASE

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID8050564

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7α)-21-{4-[(Diethylamino)methyl]-2-methoxyphenoxy}-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol [ACD/IUPAC Name]
(7α)-21-{4-[(Diethylamino)methyl]-2-methoxyphenoxy}-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol [German] [ACD/IUPAC Name]
(7α)-21-{4-[(Diéthylamino)méthyl]-2-méthoxyphénoxy}-7-méthyl-19-norprégna-1,3,5(10)-trién-3-ol [French] [ACD/IUPAC Name]
229634-97-3 [RN]
Estra-1,3,5(10)-trien-3-ol, 17-[2-[4-[(diethylamino)methyl]-2-methoxyphenoxy]ethyl]-7-methyl-, (7α,17β)- [ACD/Index Name]
TAS-108 FREE BASE
TAS-108 [Wiki]

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

42U0C8VOLO [DBID]
UNII:42U0C8VOLO [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 486.46
ACD/KOC (pH 5.5): 395.45
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 4310.60
ACD/KOC (pH 7.4): 3504.13
Polar Surface Area: 42 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 475.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement