Found 1 result

Search term: NFKQILDBHDOUPO-NHCUHLMSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-1-dodecanesulfonamide | C21H36N2O6S

N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-1-dodecanesulfonamide

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID28668674

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Dodecanesulfonamide, N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]- [ACD/Index Name]
N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-1-dodecanesulfonamide [ACD/IUPAC Name]
N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophényl)-2-propanyl]-1-dodécanesulfonamide [French] [ACD/IUPAC Name]
N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]-1-dodecansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 620.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.1±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7241.43
ACD/KOC (pH 5.5): 20157.52
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7167.20
ACD/KOC (pH 7.4): 19950.86
Polar Surface Area: 141 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 374.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement