Found 52 results

Search term: MF = 'C_{38}H_{36}N_{2}O_{5}'
ChemSpider 2D Image | 2-Benzyl 6-methyl (2S,3aS,5S,11bR)-3-benzyl-5-(2-methoxyphenyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-2,6-dicarboxylate | C38H36N2O5

2-Benzyl 6-methyl (2S,3aS,5S,11bR)-3-benzyl-5-(2-methoxyphenyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-2,6-dicarboxylate

  • Molecular FormulaC38H36N2O5
  • Average mass600.703 Da
  • Monoisotopic mass600.262451 Da
  • ChemSpider ID8826584

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3aS,5S,11bR)-3-Benzyl-5-(2-méthoxyphényl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-2,6-dicarboxylate de 2-benzyle et de 6-méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-d]carbazole-2,6-dicarboxylic acid, 2,3,3a,4,5,7-hexahydro-5-(2-methoxyphenyl)-3-(phenylmethyl)-, 6-methyl 2-(phenylmethyl) ester, (2S,3aS,5S,11bR)- [ACD/Index Name]
2-Benzyl 6-methyl (2S,3aS,5S,11bR)-3-benzyl-5-(2-methoxyphenyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-2,6-dicarboxylate [ACD/IUPAC Name]
2-Benzyl-6-methyl-(2S,3aS,5S,11bR)-3-benzyl-5-(2-methoxyphenyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazol-2,6-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 389.1±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 4822.70
ACD/KOC (pH 5.5): 9225.50
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25612.39
ACD/KOC (pH 7.4): 48994.78
Polar Surface Area: 77 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 458.3±5.0 cm3

Click to predict properties on the Chemicalize site


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