ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3R,4R,5R)-3,4-bis(benzyloxy)-2-(hydroxymethyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate | C30H42N2O7

2-Methyl-2-propanyl (2S,3R,4R,5R)-3,4-bis(benzyloxy)-2-(hydroxymethyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC30H42N2O7
  • Average mass542.664 Da
  • Monoisotopic mass542.299194 Da
  • ChemSpider ID9299548

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4R,5R)-3,4-Bis(benzyloxy)-2-(hydroxyméthyl)-5-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)-, 1,1-dimethylethyl ester, (2R,3R,4R,5S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,3R,4R,5R)-3,4-bis(benzyloxy)-2-(hydroxymethyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3R,4R,5R)-3,4-bis(benzyloxy)-2-(hydroxymethyl)-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC 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: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6528.12
ACD/KOC (pH 5.5): 18716.16
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6528.08
ACD/KOC (pH 7.4): 18716.04
Polar Surface Area: 107 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement