ChemSpider 2D Image | SK1-I | C17H27NO2

SK1-I

  • Molecular FormulaC17H27NO2
  • Average mass277.402 Da
  • Monoisotopic mass277.204193 Da
  • ChemSpider ID29369975

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1E)-1,2,4-Trideoxy-4-(methylamino)-1-(4-pentylphenyl)-D-erythro-pent-1-enitol [ACD/IUPAC Name]
(1E)-1,2,4-Tridesoxy-4-(methylamino)-1-(4-pentylphenyl)-D-erythro-pent-1-enitol [German] [ACD/IUPAC Name]
(1E)-1,2,4-Tridésoxy-4-(méthylamino)-1-(4-pentylphényl)-D-érythro-pent-1-énitol [French] [ACD/IUPAC Name]
D-erythro-Pent-1-enitol, 1,2,4-trideoxy-4-(methylamino)-1-(4-pentylphenyl)-, (1E)- [ACD/Index Name]
SK1-I
(2R,3S,4E)-2-(methylamino)-5-(4-pentylphenyl)pent-4-ene-1,3-diol
(2R,3S,4E)-N-methyl-5-(4′-pentylphenyl)-2-amino-4-pentene-1,3-diol
(2R,3S,4E)-N-methyl-5-(4'-pentylphenyl)-2-aminopent-4-ene-1,3-diol
(E,2R,3S)-2-(methylamino)-5-(4-pentylphenyl)pent-4-ene-1,3-diol
1072443-89-0 [RN]
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 452.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 121.6±19.3 °C
Index of Refraction: 1.558
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.66
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 31.15
ACD/KOC (pH 7.4): 199.87
Polar Surface Area: 52 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

Click to predict properties on the Chemicalize site


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