ChemSpider 2D Image | J25K843MCN | C12H18O6

J25K843MCN

  • Molecular FormulaC12H18O6
  • Average mass258.268 Da
  • Monoisotopic mass258.110352 Da
  • ChemSpider ID32699931
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3ar,5S,6ar)-1,1'-(tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro(2,3-D)-1,3-dioxole-2,5-diyl)bis-ethanone
1,1'-[(2R,3aR,5S,6aR)-6a-Hydroxy-2,3a,5-trimethyltetrahydrofuro[2,3-d][1,3]dioxol-2,5-diyl]diethanon [German] [ACD/IUPAC Name]
1,1'-[(2R,3aR,5S,6aR)-6a-Hydroxy-2,3a,5-trimethyltetrahydrofuro[2,3-d][1,3]dioxole-2,5-diyl]diethanone [ACD/IUPAC Name]
1,1'-[(2R,3aR,5S,6aR)-6a-Hydroxy-2,3a,5-triméthyltétrahydrofuro[2,3-d][1,3]dioxole-2,5-diyl]diéthanone [French] [ACD/IUPAC Name]
959620-41-8 [RN]
J25K843MCN
1,1'-(TETRAHYDRO-6A-HYDROXY-2,3A,5-TRIMETHYLFURO(2,3-D)-1,3-DIOXOLE-2,5-DIYL)BIS-ETHANONE, (2R,3AR,5S,6AR)-
UNII:J25K843MCN
UNII-J25K843MCN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 370.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 137.5±21.4 °C
Index of Refraction: 1.503
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.80
ACD/KOC (pH 5.5): 178.29
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.80
ACD/KOC (pH 7.4): 178.29
Polar Surface Area: 82 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 201.9±3.0 cm3

Click to predict properties on the Chemicalize site






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