ChemSpider 2D Image | (3Z,6S,7R,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol | C11H20N2O3S

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

  • Molecular FormulaC11H20N2O3S
  • Average mass260.353 Da
  • Monoisotopic mass260.119476 Da
  • ChemSpider ID35035563

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3Z,6S,7R,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridin-6,7,8-triol [German] [ACD/IUPAC Name]
(3Z,6S,7R,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol [ACD/IUPAC Name]
(3Z,6S,7R,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol [French] [ACD/IUPAC Name]
3H-Thiazolo[3,4-a]pyridine-6,7,8-triol, 3-(butylimino)hexahydro-, (3Z,6S,7R,8S,8aS)- [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: 412.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 203.3±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 173.7±7.0 cm3

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