ChemSpider 2D Image | [(3R,5S,8S,9S,10R,13R,14S,17R)-3-Amino-17-{(2R)-1-[(2S,3S)-3-isopropyl-1-methyl-2-pyrrolidinyl]-2-propanyl}-13-methylhexadecahydro-10H-cyclopenta[a]phenanthren-10-yl]methyl acetate (non-preferred name ) | C32H56N2O2

[(3R,5S,8S,9S,10R,13R,14S,17R)-3-Amino-17-{(2R)-1-[(2S,3S)-3-isopropyl-1-methyl-2-pyrrolidinyl]-2-propanyl}-13-methylhexadecahydro-10H-cyclopenta[a]phenanthren-10-yl]methyl acetate (non-preferred name )

  • Molecular FormulaC32H56N2O2
  • Average mass500.799 Da
  • Monoisotopic mass500.434174 Da
  • ChemSpider ID9838096

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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[(3R,5S,8S,9S,10R,13R,14S,17R)-3-Amino-17-{(2R)-1-[(2S,3S)-3-isopropyl-1-methyl-2-pyrrolidinyl]-2-propanyl}-13-methylhexadecahydro-10H-cyclopenta[a]phenanthren-10-yl]methyl acetate (non-preferred name ) [ACD/IUPAC Name]
[(3R,5S,8S,9S,10R,13R,14S,17R)-3-Amino-17-{(2R)-1-[(2S,3S)-3-isopropyl-1-methyl-2-pyrrolidinyl]-2-propanyl}-13-methylhexadecahydro-10H-cyclopenta[a]phenanthren-10-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(3R,5S,8S,9S,10R,13R,14S,17R)-3-amino-17-{(2R)-1-[(2S,3S)-3-isopropyl-1-méthyl-2-pyrrolidinyl]-2-propanyl}-13-méthylhexadécahydro-10H-cyclopenta[a]phénanthrén-10-yl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Plakinamine I

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

Density: 1.0±0.1 g/cm3
Boiling Point: 557.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.7±20.4 °C
Index of Refraction: 1.508
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 7.45
ACD/KOC (pH 5.5): 10.02
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 7.58
ACD/KOC (pH 7.4): 10.19
Polar Surface Area: 56 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 499.3±3.0 cm3

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