ChemSpider 2D Image | (5alpha,16alpha)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}-16-methylpregn-9(11)-ene-3,20-dione | C38H56N6O2

(5α,16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}-16-methylpregn-9(11)-ene-3,20-dione

  • Molecular FormulaC38H56N6O2
  • Average mass628.890 Da
  • Monoisotopic mass628.446472 Da
  • ChemSpider ID154402

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}-16-methylpregn-9(11)-en-3,20-dion [German] [ACD/IUPAC Name]
(5α,16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}-16-methylpregn-9(11)-ene-3,20-dione [ACD/IUPAC Name]
(5α,16α)-21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-pipérazinyl}-16-méthylprégn-9(11)-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-9(11)-ene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methyl-, (5α,16α)-
Pregn-9(11)-ene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (5α,16α)- [ACD/Index Name]
(5S,8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-Dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
177949-23-4 [RN]

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

U-87999 [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: 791.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 432.5±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 180.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 29.69
ACD/KOC (pH 5.5): 76.11
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 30.74
ACD/KOC (pH 7.4): 78.80
Polar Surface Area: 73 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 510.8±5.0 cm3

Click to predict properties on the Chemicalize site


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