ChemSpider 2D Image | (2R,3S,4R,5S)-N-Butyl-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinecarbothioamide | C11H22N2O4S

(2R,3S,4R,5S)-N-Butyl-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinecarbothioamide

  • Molecular FormulaC11H22N2O4S
  • Average mass278.368 Da
  • Monoisotopic mass278.130035 Da
  • ChemSpider ID35034122

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5S)-N-Butyl-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidincarbothioamid [German] [ACD/IUPAC Name]
(2R,3S,4R,5S)-N-Butyl-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinecarbothioamide [ACD/IUPAC Name]
(2R,3S,4R,5S)-N-Butyl-3,4,5-trihydroxy-2-(hydroxyméthyl)-1-pipéridinecarbothioamide [French] [ACD/IUPAC Name]
(2r,3s,4r,5s)-N-Butyl-3,4,5-Trihydroxy-2-(Hydroxymethyl)piperidine-1-Carbothioamide
1-Piperidinecarbothioamide, N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)-, (2R,3S,4R,5S)- [ACD/Index Name]
NDJ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 436.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 217.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.08
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.08
Polar Surface Area: 128 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

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