Found 63 results

Search term: MF = 'C_{34}H_{49}NO_{5}'
ChemSpider 2D Image | 1-Adamantan-2-yl 5-(2-methyl-2-propanyl) (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tetradecahydro-5H-cyclopenta[i]phenanthridine-1,5-dicarboxylate | C34H49NO5

1-Adamantan-2-yl 5-(2-methyl-2-propanyl) (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tetradecahydro-5H-cyclopenta[i]phenanthridine-1,5-dicarboxylate

  • Molecular FormulaC34H49NO5
  • Average mass551.757 Da
  • Monoisotopic mass551.361084 Da
  • ChemSpider ID8523017

  • defined stereocentres - 6 of 11 defined stereocentres

More details:

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

(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-Diméthyl-7-oxo-1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tétradécahydro-5H-cyclopenta[i]phénanthridine-1,5-dicarboxylate de 1-adamantan-2-yle et de 5-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-Adamantan-2-yl 5-(2-methyl-2-propanyl) (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tetradecahydro-5H-cyclopenta[i]phenanthridine-1,5-dicarboxylate [ACD/IUPAC Name]
1-Adamantan-2-yl-5-(2-methyl-2-propanyl)-(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tetradecahydro-5H-cyclopenta[i]phenanthridin-1,5-dicarboxylat [German] [ACD/IUPAC Name]
5H-Cyclopenta[i]phenanthridine-1,5-dicarboxylic acid, 1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tetradecahydro-9a,11a-dimethyl-7-oxo-, 5-(1,1-dimethylethyl) 1-tricyclo[3.3.1.13,7]dec-2-yl ester, (1S,3aS,3 bS,9aR,9bS,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.7±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33861.07
ACD/KOC (pH 5.5): 60805.61
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33861.07
ACD/KOC (pH 7.4): 60805.61
Polar Surface Area: 73 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 460.7±5.0 cm3

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