Found 28 results

Search term: MF = 'C_{41}H_{44}N_{2}O_{6}'
ChemSpider 2D Image | Methyl 3-({(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-oxo-3-pyrrolidinyl}methyl)benzoate | C41H44N2O6

Methyl 3-({(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-oxo-3-pyrrolidinyl}methyl)benzoate

  • Molecular FormulaC41H44N2O6
  • Average mass660.798 Da
  • Monoisotopic mass660.319946 Da
  • ChemSpider ID17234500

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-({(3S,5R)-5-Benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxopentyl]-2-oxo-3-pyrrolidinyl}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-oxo-3-pyrrolidinyl}methyl)benzoate [ACD/IUPAC Name]
Methyl-3-({(3S,5R)-5-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-oxo-3-pyrrolidinyl}methyl)benzoat [German] [ACD/IUPAC Name]
Pyrrolidone scaffold 20b

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

Density: 1.3±0.1 g/cm3
Boiling Point: 905.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 501.2±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 188.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19803.09
ACD/KOC (pH 5.5): 41417.89
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19803.09
ACD/KOC (pH 7.4): 41417.89
Polar Surface Area: 116 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 512.8±5.0 cm3

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