Found 2 results

Search term: OCIJVPSYXWTQKR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S,7S,8R)-6-Methylhexahydro-4aH-[1,4]dithiino[2,3-b]pyran-7,8-diyl diacetate | C12H18O5S2

(6S,7S,8R)-6-Methylhexahydro-4aH-[1,4]dithiino[2,3-b]pyran-7,8-diyl diacetate

  • Molecular FormulaC12H18O5S2
  • Average mass306.398 Da
  • Monoisotopic mass306.059570 Da
  • ChemSpider ID30651081

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(6S,7S,8R)-6-Methylhexahydro-4aH-[1,4]dithiino[2,3-b]pyran-7,8-diyl diacetate [ACD/IUPAC Name]
(6S,7S,8R)-6-Methylhexahydro-4aH-[1,4]dithiino[2,3-b]pyran-7,8-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (6S,7S,8R)-6-méthylhexahydro-4aH-[1,4]dithiino[2,3-b]pyrane-7,8-diyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 415.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 201.9±16.7 °C
Index of Refraction: 1.556
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.96
ACD/KOC (pH 5.5): 822.48
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.96
ACD/KOC (pH 7.4): 822.48
Polar Surface Area: 112 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 233.1±5.0 cm3

Click to predict properties on the Chemicalize site


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