ChemSpider 2D Image | (3Z,5S,6R,7S,8R,8aS)-3-(Octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol | C15H28N2O4S

(3Z,5S,6R,7S,8R,8aS)-3-(Octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol

  • Molecular FormulaC15H28N2O4S
  • Average mass332.459 Da
  • Monoisotopic mass332.176971 Da
  • ChemSpider ID25058896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3Z,5S,6R,7S,8R,8aS)-3-(Octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridin-5,6,7,8-tetrol [German] [ACD/IUPAC Name]
(3Z,5S,6R,7S,8R,8aS)-3-(Octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol [ACD/IUPAC Name]
(3Z,5S,6R,7S,8R,8aS)-3-(Octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tétrol [French] [ACD/IUPAC Name]
3H-Thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, hexahydro-3-(octylimino)-, (3Z,5S,6R,7S,8R,8aS)- [ACD/Index Name]
(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)-hexahydro-[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)-hexahydro-1H-[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 479.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 243.9±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.14
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.96
Polar Surface Area: 122 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 235.3±7.0 cm3

Click to predict properties on the Chemicalize site


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