Found 16 results

Search term: MF = 'C_{39}H_{54}N_{2}O_{3}'
ChemSpider 2D Image | Methyl N-{[(1R,3aS,5aR,5bR,14aR)-1-isopropenyl-5a,5b,8,8,14a-pentamethyl-2,3,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-octadecahydrocyclopenta[7,8]phenanthro[2,1-b]carbazol-3a(1H)-yl]carbonyl}glyc inate | C39H54N2O3

Methyl N-{[(1R,3aS,5aR,5bR,14aR)-1-isopropenyl-5a,5b,8,8,14a-pentamethyl-2,3,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-octadecahydrocyclopenta[7,8]phenanthro[2,1-b]carbazol-3a(1H)-yl]carbonyl}glyc inate

  • Molecular FormulaC39H54N2O3
  • Average mass598.858 Da
  • Monoisotopic mass598.413452 Da
  • ChemSpider ID9723671

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

Glycine, N-[[(1R,3aS,5aR,5bR,14aR)-2,3,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-octadecahydro-5a,5b,8,8,14a-pentamethyl-1-(1-methylethenyl)cyclopenta[7,8]phenanthro[2,1-b]carbazol-3a(1H)-yl]carbo nyl]-, methyl ester [ACD/Index Name]
Methyl N-{[(1R,3aS,5aR,5bR,14aR)-1-isopropenyl-5a,5b,8,8,14a-pentamethyl-2,3,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-octadecahydrocyclopenta[7,8]phenanthro[2,1-b]carbazol-3a(1H)-yl]carbonyl}glyc inate [ACD/IUPAC Name]
Methyl-N-{[(1R,3aS,5aR,5bR,14aR)-1-isopropenyl-5a,5b,8,8,14a-pentamethyl-2,3,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-octadecahydrocyclopenta[7,8]phenanthro[2,1-b]carbazol-3a(1H)-yl]carbonyl}glyc inat [German] [ACD/IUPAC Name]
N-{[(1R,3aS,5aR,5bR,14aR)-1-Isopropényl-5a,5b,8,8,14a-pentaméthyl-2,3,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-octadécahydrocyclopenta[7,8]phénanthro[2,1-b]carbazol-3a(1H)-yl]carbonyl}glycinate d e méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 177.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.65
ACD/LogD (pH 5.5): 10.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6622297.50
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6622319.00
Polar Surface Area: 71 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 538.4±3.0 cm3

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