ChemSpider 2D Image | 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide | C19H26N2O6S

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

  • Molecular FormulaC19H26N2O6S
  • Average mass410.484 Da
  • Monoisotopic mass410.151154 Da
  • ChemSpider ID29401891

  • 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, N-(cyclopropylmethyl)-3,4,4a,9a-tetrahydro-1-(hydroxymethyl)-6-[(methylsulfonyl)amino]-, (1R,3R,4aS,9aR)- [ACD/Index Name]
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
N-(Cyclopropylmethyl)-2-{(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(methylsulfonyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl}acetamid [German] [ACD/IUPAC Name]
N-(Cyclopropylmethyl)-2-{(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(methylsulfonyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl}acetamide [ACD/IUPAC Name]
N-(Cyclopropylméthyl)-2-{(1R,3R,4aS,9aR)-1-(hydroxyméthyl)-6-[(méthylsulfonyl)amino]-3,4,4a,9a-tétrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl}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: 1.593
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.28
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.08
Polar Surface Area: 122 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 300.9±3.0 cm3

Click to predict properties on the Chemicalize site


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