ChemSpider 2D Image | (2S)-2-{[(4S,5S)-4-{(2S)-2-[4-Methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl}-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]methyl}-3-methylbutanoic acid | C33H55NO8

(2S)-2-{[(4S,5S)-4-{(2S)-2-[4-Methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl}-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]methyl}-3-methylbutanoic acid

  • Molecular FormulaC33H55NO8
  • Average mass593.792 Da
  • Monoisotopic mass593.392761 Da
  • ChemSpider ID57578968

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-{[(4S,5S)-4-{(2S)-2-[4-Methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl}-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]methyl}-3-methylbutanoic acid [ACD/IUPAC Name]
(2S)-2-{[(4S,5S)-4-{(2S)-2-[4-Methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl}-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]methyl}-3-methylbutansäure [German] [ACD/IUPAC Name]
172900-88-8 [RN]
5-Oxazolidinepropanoic acid, 3-[(1,1-dimethylethoxy)carbonyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-α-(1-methylethyl)-, (αS,4S,5S)- [ACD/Index Name]
Acide (2S)-2-{[(4S,5S)-4-{(2S)-2-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-3-méthylbutyl}-2,2-diméthyl-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-5-yl]méthyl}-3-méthylbutanoïque [French] [ACD/IUPAC Name]
5-Oxazolidinepropanoic acid, 3-[(1,1-dimethylethoxy)carbonyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-?-(1-methylethyl)-, (?S,4S,5S)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±31.5 °C
Index of Refraction: 1.492
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 3811.69
ACD/KOC (pH 5.5): 6962.14
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 59.99
ACD/KOC (pH 7.4): 109.57
Polar Surface Area: 104 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 564.3±3.0 cm3

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