ChemSpider 2D Image | MFCD09842747 | C613C6H21NO8S


  • Molecular FormulaC613C6H21NO8S
  • Average mass345.318 Da
  • Monoisotopic mass345.118927 Da
  • ChemSpider ID49071506
  • 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-Tetramethyl(3a,5,5a,8a,8b-13C5)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl](13C)methyl sulfamate (non-preferred name) [ACD/IUPAC Name]
[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyl(3a,5,5a,8a,8b-13C5)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl](13C)methylsulfamat (non-preferred name) [German] [ACD/IUPAC Name]
1217455-55-4 [RN]
Sulfamate de [(3aS,5aR,8aR,8bS)-2,2,7,7-tétraméthyl(3a,5,5a,8a,8b-13C5)tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl](13C)méthyle (non-preferred name) [French] [ACD/IUPAC Name]
[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyl(3a,5,5a,8a,8b-13C5)tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl](13C)methyl sulfamate (non-preferred name)

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.497
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
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: 29.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 253.9±3.0 cm3

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