ChemSpider 2D Image | N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide | C24H37N3O7S

N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

  • Molecular FormulaC24H37N3O7S
  • Average mass511.632 Da
  • Monoisotopic mass511.235229 Da
  • ChemSpider ID58148419

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Methanesulfonamide, N-[(3S,6R,7R)-3,4,5,6,7,8,9,10-octahydro-7-methoxy-3,6,9-trimethyl-10-oxo-4-[(tetrahydro-2H-pyran-4-yl)carbonyl]-2H-1,4,9-benzoxadiazacyclododecin-12-yl]- [ACD/Index Name]
N-[(3S,6R,7R)-7-Methoxy-3,6,9-trimethyl-10-oxo-4-(tetrahydro-2H-pyran-4-ylcarbonyl)-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-12-yl]methanesulfonamide [ACD/IUPAC Name]
N-[(3S,6R,7R)-7-Méthoxy-3,6,9-triméthyl-10-oxo-4-(tétrahydro-2H-pyran-4-ylcarbonyl)-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododécin-12-yl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[(3S,6R,7R)-7-Methoxy-3,6,9-trimethyl-10-oxo-4-(tetrahydro-2H-pyran-4-ylcarbonyl)-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-12-yl]methansulfonamid [German] [ACD/IUPAC Name]
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.47
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 41.75
Polar Surface Area: 123 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 399.0±5.0 cm3

Click to predict properties on the Chemicalize site


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