ChemSpider 2D Image | N-{6-[(6aR,10aS)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-4-hexyn-1-yl}methanesulfonamide | C23H31NO4S

N-{6-[(6aR,10aS)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-4-hexyn-1-yl}methanesulfonamide

  • Molecular FormulaC23H31NO4S
  • Average mass417.561 Da
  • Monoisotopic mass417.197388 Da
  • ChemSpider ID32821830
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Methanesulfonamide, N-[6-[(6aR,10aS)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-4-hexyn-1-yl]- [ACD/Index Name]
N-{6-[(6aR,10aS)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-4-hexin-1-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{6-[(6aR,10aS)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl]-4-hexyn-1-yl}methanesulfonamide [ACD/IUPAC Name]
N-{6-[(6aR,10aS)-1-Hydroxy-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-3-yl]-4-hexyn-1-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-(6-((6aR,10aS)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)hex-4-yn-1-yl)methanesulfonamide
O-2050 [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 538.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 279.3±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3178.98
ACD/KOC (pH 5.5): 11181.95
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3150.86
ACD/KOC (pH 7.4): 11083.07
Polar Surface Area: 84 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 355.9±3.0 cm3

Click to predict properties on the Chemicalize site






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