ChemSpider 2D Image | (1S,2R,3S,4R,5R)-2,3,4-Trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide | C15H28N2O4S

(1S,2R,3S,4R,5R)-2,3,4-Trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide

  • Molecular FormulaC15H28N2O4S
  • Average mass332.459 Da
  • Monoisotopic mass332.176971 Da
  • ChemSpider ID25059175

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,3S,4R,5R)-2,3,4-Trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octan-8-carbothioamid [German] [ACD/IUPAC Name]
(1S,2R,3S,4R,5R)-2,3,4-Trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide [ACD/IUPAC Name]
(1S,2R,3S,4R,5R)-2,3,4-Trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide [French] [ACD/IUPAC Name]
6-Oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, 2,3,4-trihydroxy-N-octyl-, (1S,2R,3S,4R,5R)- [ACD/Index Name]
NCW

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 247.0±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.74
ACD/KOC (pH 5.5): 394.63
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.74
ACD/KOC (pH 7.4): 394.63
Polar Surface Area: 117 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 259.5±3.0 cm3

Click to predict properties on the Chemicalize site


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