ChemSpider 2D Image | N-[(3R,4S)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)cyclohexyl]acetamide | C18H25NO7S

N-[(3R,4S)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)cyclohexyl]acetamide

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID84451116

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexaneacetamide, 1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-[(3R,4S)-tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl]- [ACD/Index Name]
N-[(3R,4S)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)cyclohexyl]acetamid [German] [ACD/IUPAC Name]
N-[(3R,4S)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)cyclohexyl]acetamide [ACD/IUPAC Name]
N-[(3R,4S)-4-Hydroxy-1,1-dioxydotétrahydro-3-thiophényl]-2-[1-(3-hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)cyclohexyl]acétamide [French] [ACD/IUPAC Name]
N-[(3R,4S)-4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl]-2-[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)cyclohexyl]acetamide
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 761.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.33
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.74
Polar Surface Area: 138 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 278.0±5.0 cm3

Click to predict properties on the Chemicalize site


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