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Search term: FDVLRIHIZWQYRM-XDOBVOAZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3E,5S,6R,7S,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol | C11H20N2O4S

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

  • Molecular FormulaC11H20N2O4S
  • Average mass276.353 Da
  • Monoisotopic mass276.114380 Da
  • ChemSpider ID35035570

  • 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

(3E,5S,6R,7S,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridin-5,6,7,8-tetrol [German] [ACD/IUPAC Name]
(3E,5S,6R,7S,8S,8aS)-3-(Butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol [ACD/IUPAC Name]
(3E,5S,6R,7S,8S,8aS)-3-(Butylimino)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, 3-(butylimino)hexahydro-, (3E,5S,6R,7S,8S,8aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 437.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 218.3±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 66.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 122 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 171.0±7.0 cm3

Click to predict properties on the Chemicalize site


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