ChemSpider 2D Image | 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide | C22H23F3N2O6S

2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

  • Molecular FormulaC22H23F3N2O6S
  • Average mass500.488 Da
  • Monoisotopic mass500.122894 Da
  • ChemSpider ID58149870

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Pyrano[3,4-b]benzofuran-3-acetamide, 3,4,4a,9a-tetrahydro-1-(hydroxymethyl)-6-[(phenylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)-, (1R,3R,4aR,9aS)- [ACD/Index Name]
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-{(1R,3R,4aR,9aS)-1-(Hydroxymethyl)-6-[(phenylsulfonyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl}-N-(2,2,2-trifluorethyl)acetamid [German] [ACD/IUPAC Name]
2-{(1R,3R,4aR,9aS)-1-(Hydroxymethyl)-6-[(phenylsulfonyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl}-N-(2,2,2-trifluoroethyl)acetamide [ACD/IUPAC Name]
2-{(1R,3R,4aR,9aS)-1-(Hydroxyméthyl)-6-[(phénylsulfonyl)amino]-3,4,4a,9a-tétrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl}-N-(2,2,2-trifluoroéthyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.68
ACD/KOC (pH 5.5): 260.83
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.43
ACD/KOC (pH 7.4): 257.07
Polar Surface Area: 122 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

Click to predict properties on the Chemicalize site


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