ChemSpider 2D Image | [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetrakis[(~13~C)methyl](2,7-~13~C_2_)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (non-preferred name) | C613C6H20O6

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetrakis[(13C)methyl](2,7-13C2)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (non-preferred name)

  • Molecular FormulaC613C6H20O6
  • Average mass266.240 Da
  • Monoisotopic mass266.146118 Da
  • ChemSpider ID114810900

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetrakis[(13C)methyl](2,7-13C2)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (non-preferred name) [German] [ACD/IUPAC Name]
[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetrakis[(13C)methyl](2,7-13C2)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methanol (non-preferred name) [ACD/IUPAC Name]
[(3aS,5aR,8aR,8bS)-2,2,7,7-Tétrakis[(13C)méthyl](2,7-13C2)tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]méthanol (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.468
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 220.3±3.0 cm3

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