ChemSpider 2D Image | (3S,4R)-3-[(1S,3R)-4-Acetoxy-1-methoxy-3-methylbutyl]-3-hydroxy-4-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-5-oxo-L-proline | C31H43NO8Si

(3S,4R)-3-[(1S,3R)-4-Acetoxy-1-methoxy-3-methylbutyl]-3-hydroxy-4-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-5-oxo-L-proline

  • Molecular FormulaC31H43NO8Si
  • Average mass585.760 Da
  • Monoisotopic mass585.275818 Da
  • ChemSpider ID30652048

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,4R)-3-[(1S,3R)-4-Acetoxy-1-methoxy-3-methylbutyl]-3-hydroxy-4-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-5-oxo-L-prolin [German] [ACD/IUPAC Name]
(3S,4R)-3-[(1S,3R)-4-Acetoxy-1-methoxy-3-methylbutyl]-3-hydroxy-4-methyl-2-({[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}methyl)-5-oxo-L-proline [ACD/IUPAC Name]
(3S,4R)-3-[(1S,3R)-4-Acétoxy-1-méthoxy-3-méthylbutyl]-3-hydroxy-4-méthyl-2-({[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}méthyl)-5-oxo-L-proline [French] [ACD/IUPAC Name]
L-Proline, 3-[(1S,3R)-4-(acetyloxy)-1-methoxy-3-methylbutyl]-2-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-3-hydroxy-4-methyl-5-oxo-, (3S,4R)- [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: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 370.9±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 10.08
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 131 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 488.9±5.0 cm3

Click to predict properties on the Chemicalize site


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