ChemSpider 2D Image | (1S,4S,5R,8R)-4,8-Dihydroxy-6-oxa-2-thiabicyclo[3.2.1]octan-7-one | C6H8O4S

(1S,4S,5R,8R)-4,8-Dihydroxy-6-oxa-2-thiabicyclo[3.2.1]octan-7-one

  • Molecular FormulaC6H8O4S
  • Average mass176.190 Da
  • Monoisotopic mass176.014328 Da
  • ChemSpider ID30659273

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4S,5R,8R)-4,8-Dihydroxy-6-oxa-2-thiabicyclo[3.2.1]octan-7-on [German] [ACD/IUPAC Name]
(1S,4S,5R,8R)-4,8-Dihydroxy-6-oxa-2-thiabicyclo[3.2.1]octan-7-one [ACD/IUPAC Name]
(1S,4S,5R,8R)-4,8-Dihydroxy-6-oxa-2-thiabicyclo[3.2.1]octan-7-one [French] [ACD/IUPAC Name]
1245608-82-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 262.5±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.77
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.77
Polar Surface Area: 92 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 103.9±3.0 cm3

Click to predict properties on the Chemicalize site


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