ChemSpider 2D Image | 1-{5-[(1S,2S)-2-Amino-1,3-dihydroxypropyl]-3-thienyl}-1-dodecanone | C19H33NO3S

1-{5-[(1S,2S)-2-Amino-1,3-dihydroxypropyl]-3-thienyl}-1-dodecanone

  • Molecular FormulaC19H33NO3S
  • Average mass355.535 Da
  • Monoisotopic mass355.218109 Da
  • ChemSpider ID23172171

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{5-[(1S,2S)-2-Amino-1,3-dihydroxypropyl]-3-thienyl}-1-dodecanon [German] [ACD/IUPAC Name]
1-{5-[(1S,2S)-2-Amino-1,3-dihydroxypropyl]-3-thienyl}-1-dodecanone [ACD/IUPAC Name]
1-{5-[(1S,2S)-2-Amino-1,3-dihydroxypropyl]-3-thiényl}-1-dodécanone [French] [ACD/IUPAC Name]
1-{5-[(1S,2S)-2-amino-1,3-dihydroxypropyl]thiophen-3-yl}dodecan-1-one (non-preferred name)
1-[5-((1S,2S)-2-Amino-1,3-dihydroxy-propyl)-thiophen-3-yl]-dodecan-1-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.3±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 12.41
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 120.40
ACD/KOC (pH 7.4): 508.85
Polar Surface Area: 112 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 324.6±3.0 cm3

Click to predict properties on the Chemicalize site


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