ChemSpider 2D Image | U-74500A FREE BASE | C39H57N5O2

U-74500A FREE BASE

  • Molecular FormulaC39H57N5O2
  • Average mass627.902 Da
  • Monoisotopic mass627.451233 Da
  • ChemSpider ID97082

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α)-21-{4-[3,6-Bis(diethylamino)-2-pyridinyl]-1-piperazinyl}-16-methylpregna-1,4,9(11)-trien-3,20-dion [German] [ACD/IUPAC Name]
(16α)-21-{4-[3,6-Bis(diethylamino)-2-pyridinyl]-1-piperazinyl}-16-methylpregna-1,4,9(11)-triene-3,20-dione [ACD/IUPAC Name]
(16α)-21-{4-[3,6-Bis(diéthylamino)-2-pyridinyl]-1-pipérazinyl}-16-méthylprégna-1,4,9(11)-triène-3,20-dione [French] [ACD/IUPAC Name]
111640-85-8 [RN]
Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-[3,6-bis(diethylamino)-2-pyridinyl]-1-piperazinyl]-16-methyl-, (16α)- [ACD/Index Name]
U-74500A FREE BASE
(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-bis(diethylamino)-2-pyridyl]-1-piperazinyl]-1-oxoethyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-bis(diethylamino)-2-pyridyl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-bis(diethylamino)pyridin-2-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-bis(diethylamino)pyridin-2-yl]piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8X8W6M3W33 [DBID]
UNII:8X8W6M3W33 [DBID]
UNII-8X8W6M3W33 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.6±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 186.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 696.98
ACD/KOC (pH 5.5): 843.77
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 20428.70
ACD/KOC (pH 7.4): 24730.96
Polar Surface Area: 60 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 541.4±5.0 cm3

Click to predict properties on the Chemicalize site


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