ChemSpider 2D Image | N-[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetamide | C21H25NO8S

N-[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetamide

  • Molecular FormulaC21H25NO8S
  • Average mass451.490 Da
  • Monoisotopic mass451.130096 Da
  • ChemSpider ID62344879

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, 2-[(9,10-dihydro-4,8,8-trimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]-N-[(3S,4R)-tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl]- [ACD/Index Name]
N-[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetamid [German] [ACD/IUPAC Name]
N-[(3S,4R)-4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetamide [ACD/IUPAC Name]
N-[(3S,4R)-4-Hydroxy-1,1-dioxydotétrahydro-3-thiophényl]-2-[(4,8,8-triméthyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-5-yl)oxy]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 814.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.6±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 101.38
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.37
Polar Surface Area: 137 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 308.1±5.0 cm3

Click to predict properties on the Chemicalize site


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