ChemSpider 2D Image | Methyl N-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}leucinate | C20H29NO6S

Methyl N-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}leucinate

  • Molecular FormulaC20H29NO6S
  • Average mass411.512 Da
  • Monoisotopic mass411.171570 Da
  • ChemSpider ID81132403

More details:

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

Leucine, N-[2-[tetrahydro-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-2H-thiopyran-4-yl]acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}leucinate [ACD/IUPAC Name]
Methyl-N-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}leucinat [German] [ACD/IUPAC Name]
N-{2-[4-(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)tétrahydro-2H-thiopyrane-4-yl]acétyl}leucinate de méthyle [French] [ACD/IUPAC 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: 613.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.10
ACD/KOC (pH 5.5): 407.28
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.50
ACD/KOC (pH 7.4): 360.13
Polar Surface Area: 127 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 332.8±3.0 cm3

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