ChemSpider 2D Image | (2R,3R)-2-Benzyl-10-[2-(2-hydroxyethoxy)ethoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-1,4,7-trioxo-5-decen-3-yl acetate | C31H43NO10

(2R,3R)-2-Benzyl-10-[2-(2-hydroxyethoxy)ethoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-1,4,7-trioxo-5-decen-3-yl acetate

  • Molecular FormulaC31H43NO10
  • Average mass589.674 Da
  • Monoisotopic mass589.288696 Da
  • ChemSpider ID5141491

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-2-Benzyl-10-[2-(2-hydroxyethoxy)ethoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-1,4,7-trioxo-5-decen-3-yl acetate [ACD/IUPAC Name]
(2R,3R)-2-Benzyl-10-[2-(2-hydroxyethoxy)ethoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-1,4,7-trioxo-5-decen-3-yl-acetat [German] [ACD/IUPAC Name]
5-Decene-1,4,7-trione, 3-(acetyloxy)-1-[(4R)-5,5-dimethyl-4-(1-methylethyl)-2-oxo-3-oxazolidinyl]-10-[2-(2-hydroxyethoxy)ethoxy]-2-(phenylmethyl)-, (2R,3R)- [ACD/Index Name]
Acétate de (2R,3R)-2-benzyl-10-[2-(2-hydroxyéthoxy)éthoxy]-1-[(4R)-4-isopropyl-5,5-diméthyl-2-oxo-1,3-oxazolidin-3-yl]-1,4,7-trioxo-5-décén-3-yle [French] [ACD/IUPAC Name]
Fold1.1_002124

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

Fold1_000180 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.6±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.16
ACD/KOC (pH 5.5): 1728.62
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.16
ACD/KOC (pH 7.4): 1728.62
Polar Surface Area: 146 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 499.7±3.0 cm3

Click to predict properties on the Chemicalize site


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