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

(2R,3R)-10-[(2R)-2-(Benzyloxy)-3-hydroxypropoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1,4,7-trioxo-5-decen-3-yl acetate

  • Molecular FormulaC31H43NO10
  • Average mass589.674 Da
  • Monoisotopic mass589.288696 Da
  • ChemSpider ID5141285

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R)-10-[(2R)-2-(Benzyloxy)-3-hydroxypropoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1,4,7-trioxo-5-decen-3-yl acetate [ACD/IUPAC Name]
(2R,3R)-10-[(2R)-2-(Benzyloxy)-3-hydroxypropoxy]-1-[(4R)-4-isopropyl-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-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-[(2R)-3-hydroxy-2-(phenylmethoxy)propoxy]-2-methyl-, (2R,3R)- [ACD/Index Name]
Acétate de (2R,3R)-10-[(2R)-2-(benzyloxy)-3-hydroxypropoxy]-1-[(4R)-4-isopropyl-5,5-diméthyl-2-oxo-1,3-oxazolidin-3-yl]-2-méthyl-1,4,7-trioxo-5-décén-3-yle [French] [ACD/IUPAC Name]
Fold1.1_001430
Fold1.1_001487
Fold1.1_001729
Fold1.1_001931
Fold1.1_001953
Fold1.1_002260

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

Fold1_000185 [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: 740.2±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: 401.4±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 352.63
ACD/KOC (pH 5.5): 2317.27
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.63
ACD/KOC (pH 7.4): 2317.27
Polar Surface Area: 146 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 500.1±3.0 cm3

Click to predict properties on the Chemicalize site


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