ChemSpider 2D Image | 2-Methyl-1-oxo-1-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-2-propanyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H- pyrrole-3-carboxylate | C35H42N2O11

2-Methyl-1-oxo-1-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-2-propanyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H- pyrrole-3-carboxylate

  • Molecular FormulaC35H42N2O11
  • Average mass666.715 Da
  • Monoisotopic mass666.278870 Da
  • ChemSpider ID59009014

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-, 2-[[(5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-8-oxo-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]amin o]-1,1-dimethyl-2-oxoethyl ester [ACD/Index Name]
1-Hydroxy-2,2,5,5-tétraméthyl-2,5-dihydro-1H-pyrrole-3-carboxylate de 2-méthyl-1-oxo-1-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol -5-yl]amino}-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-1-oxo-1-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-2-propanyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H- pyrrole-3-carboxylate [ACD/IUPAC Name]
2-Methyl-1-oxo-1-{[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}-2-propanyl-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H- pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 802.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 171.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.15
ACD/KOC (pH 5.5): 1505.34
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.49
ACD/KOC (pH 7.4): 1507.97
Polar Surface Area: 151 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 485.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement