ChemSpider 2D Image | N-{(1s)-3-[(5s)-5-Tert-Butyl-1-(3,3-Dimethylbutyl)-4-Hydroxy-2-Oxo-2,5-Dihydro-1h-Pyrrol-3-Yl]-1-Ethoxy-1-Oxido-1,4-Dihydro-2,4,1-Benzodiazaphosphinin-7-Yl}methanesulfonamide | C24H37N4O6PS

N-{(1s)-3-[(5s)-5-Tert-Butyl-1-(3,3-Dimethylbutyl)-4-Hydroxy-2-Oxo-2,5-Dihydro-1h-Pyrrol-3-Yl]-1-Ethoxy-1-Oxido-1,4-Dihydro-2,4,1-Benzodiazaphosphinin-7-Yl}methanesulfonamide

  • Molecular FormulaC24H37N4O6PS
  • Average mass540.612 Da
  • Monoisotopic mass540.217163 Da
  • ChemSpider ID35033416

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[(1S)-3-[(5S)-1-(3,3-dimethylbutyl)-5-(1,1-dimethylethyl)-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrol-3-yl]-1-ethoxy-1,4-dihydro-1-oxido-2,4,1-benzodiazaphosphorin-7-yl]- [ACD/Index Name]
N-{(1S)-3-[(5S)-1-(3,3-Dimethylbutyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{(1S)-3-[(5S)-1-(3,3-Dimethylbutyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{(1S)-3-[(5S)-1-(3,3-Diméthylbutyl)-4-hydroxy-5-(2-méthyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-éthoxy-1-oxydo-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{(1s)-3-[(5s)-5-Tert-Butyl-1-(3,3-Dimethylbutyl)-4-Hydroxy-2-Oxo-2,5-Dihydro-1h-Pyrrol-3-Yl]-1-Ethoxy-1-Oxido-1,4-Dihydro-2,4,1-Benzodiazaphosphinin-7-Yl}methanesulfonamide
0NQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.7±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 156 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 400.7±7.0 cm3

Click to predict properties on the Chemicalize site


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