ChemSpider 2D Image | N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide | C29H39N3O8S

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID58159728

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2H-Pyran-4-carboxamide, tetrahydro-N-[(2S,3R)-3,4,5,6-tetrahydro-5-[(1R)-2-hydroxy-1-methylethyl]-2-[[[(4-methoxyphenyl)sulfonyl]methylamino]methyl]-3-methyl-6-oxo-2H-1,5-benzoxazocin-10-yl]- [ACD/Index Name]
N-[(2S,3R)-5-[(2R)-1-Hydroxy-2-propanyl]-2-({[(4-methoxyphenyl)sulfonyl](methyl)amino}methyl)-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-5-[(2R)-1-Hydroxy-2-propanyl]-2-({[(4-methoxyphenyl)sulfonyl](methyl)amino}methyl)-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
N-[(2S,3R)-5-[(2R)-1-Hydroxy-2-propanyl]-2-({[(4-méthoxyphényl)sulfonyl](méthyl)amino}méthyl)-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-10-yl]tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 153.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.94
ACD/KOC (pH 5.5): 487.41
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.94
ACD/KOC (pH 7.4): 487.43
Polar Surface Area: 143 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

Click to predict properties on the Chemicalize site


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