ChemSpider 2D Image | 2-Methyl-2-propanyl (4S)-4-{4-[5-({(4S)-3-[(benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenoxy]benzyl}-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | C38H48N2O8

2-Methyl-2-propanyl (4S)-4-{4-[5-({(4S)-3-[(benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenoxy]benzyl}-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

  • Molecular FormulaC38H48N2O8
  • Average mass660.796 Da
  • Monoisotopic mass660.341064 Da
  • ChemSpider ID8434304

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-{4-[5-({(4S)-3-[(Benzyloxy)carbonyl]-2,2-diméthyl-1,3-oxazolidin-4-yl}méthyl)-2-méthoxyphénoxy]benzyl}-2,2-diméthyl-1,3-oxazolidine-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4S)-4-{4-[5-({(4S)-3-[(benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenoxy]benzyl}-2,2-dimethyl-1,3-oxazolidine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S)-4-{4-[5-({(4S)-3-[(benzyloxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}methyl)-2-methoxyphenoxy]benzyl}-2,2-dimethyl-1,3-oxazolidin-3-carboxylat [German] [ACD/IUPAC Name]
3-Oxazolidinecarboxylic acid, 4-[[3-[4-[[(4S)-3-[(1,1-dimethylethoxy)carbonyl]-2,2-dimethyl-4-oxazolidinyl]methyl]phenoxy]-4-methoxyphenyl]methyl]-2,2-dimethyl-, phenylmethyl ester, (4S)- [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: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 182.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22585.36
ACD/KOC (pH 5.5): 45504.60
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22585.36
ACD/KOC (pH 7.4): 45504.60
Polar Surface Area: 96 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 565.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement