Found 15 results

Search term: MF = 'C_{35}H_{61}NO_{3}'
ChemSpider 2D Image | (4aR,6aS,7S,11R)-11-(10-{[Butyl(methyl)amino]oxy}decyl)-7-hydroxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-2(3H)-chrysenone | C35H61NO3

(4aR,6aS,7S,11R)-11-(10-{[Butyl(methyl)amino]oxy}decyl)-7-hydroxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-2(3H)-chrysenone

  • Molecular FormulaC35H61NO3
  • Average mass543.864 Da
  • Monoisotopic mass543.465149 Da
  • ChemSpider ID8026082

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(4aR,6aS,7S,11R)-11-(10-{[Butyl(methyl)amino]oxy}decyl)-7-hydroxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-2(3H)-chrysenon [German] [ACD/IUPAC Name]
(4aR,6aS,7S,11R)-11-(10-{[Butyl(methyl)amino]oxy}decyl)-7-hydroxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-2(3H)-chrysenone [ACD/IUPAC Name]
(4aR,6aS,7S,11R)-11-(10-{[Butyl(méthyl)amino]oxy}décyl)-7-hydroxy-4a,6a-diméthyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tétradécahydro-2(3H)-chrysénone [French] [ACD/IUPAC Name]
2(3H)-Chrysenone, 11-[10-[(butylmethylamino)oxy]decyl]-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-7-hydroxy-4a,6a-dimethyl-, (4aR,6aS,7S,11R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 632.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.2±6.0 kJ/mol
Flash Point: 336.3±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1712348.00
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1764556.00
Polar Surface Area: 50 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 528.0±5.0 cm3

Click to predict properties on the Chemicalize site


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