ChemSpider 2D Image | (2R,5S,6R)-2-[(Hydroxyamino)methyl]-5,6-dimethyl-4-{[4-(4-pyridinyloxy)phenyl]sulfonyl}-3-morpholinethione | C18H21N3O5S2

(2R,5S,6R)-2-[(Hydroxyamino)methyl]-5,6-dimethyl-4-{[4-(4-pyridinyloxy)phenyl]sulfonyl}-3-morpholinethione

  • Molecular FormulaC18H21N3O5S2
  • Average mass423.506 Da
  • Monoisotopic mass423.092255 Da
  • ChemSpider ID62492397

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,5S,6R)-2-[(Hydroxyamino)methyl]-5,6-dimethyl-4-{[4-(4-pyridinyloxy)phenyl]sulfonyl}-3-morpholinethione [ACD/IUPAC Name]
(2R,5S,6R)-2-[(Hydroxyamino)méthyl]-5,6-diméthyl-4-{[4-(4-pyridinyloxy)phényl]sulfonyl}-3-morpholinethione [French] [ACD/IUPAC Name]
(2R,5S,6R)-2-[(Hydroxyamino)methyl]-5,6-dimethyl-4-{[4-(4-pyridinyloxy)phenyl]sulfonyl}-3-morpholinthion [German] [ACD/IUPAC Name]
3-Morpholinethione, 2-[(hydroxyamino)methyl]-5,6-dimethyl-4-[[4-(4-pyridinyloxy)phenyl]sulfonyl]-, (2R,5S,6R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.2±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 108.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.17
ACD/KOC (pH 5.5): 146.82
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 183.25
Polar Surface Area: 141 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

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