Found 40 results

Search term: MF = 'C_{12}H_{18}O_{5}S_{2}'
ChemSpider 2D Image | (2S,3R,3aR,6R,6aS)-2,3-Dihydroxyhexahydrospiro[cyclopenta[b]furan-4,2'-[1,3]dithian]-6-yl acetate | C12H18O5S2

(2S,3R,3aR,6R,6aS)-2,3-Dihydroxyhexahydrospiro[cyclopenta[b]furan-4,2'-[1,3]dithian]-6-yl acetate

  • Molecular FormulaC12H18O5S2
  • Average mass306.398 Da
  • Monoisotopic mass306.059570 Da
  • ChemSpider ID26586750

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,3aR,6R,6aS)-2,3-Dihydroxyhexahydrospiro[cyclopenta[b]furan-4,2'-[1,3]dithian]-6-yl acetate [ACD/IUPAC Name]
Spiro[4H-cyclopenta[b]furan-4,2'-[1,3]dithiane]-2,3,6-triol, hexahydro-, 6-acetate, (2S,3R,3aR,6R,6aS)- [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: 489.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 250.1±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 72.44
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 72.44
Polar Surface Area: 127 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 206.4±5.0 cm3

Click to predict properties on the Chemicalize site


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