ChemSpider 2D Image | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methyl sulfamate | C12H21NO8S

[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methyl sulfamate

  • Molecular FormulaC12H21NO8S
  • Average mass339.362 Da
  • Monoisotopic mass339.098785 Da
  • ChemSpider ID23238548

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methyl sulfamate [ACD/IUPAC Name]
[(3aS,5S,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]méthyle [French] [ACD/IUPAC Name]
CHEMBL354981
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL354981/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 445.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.4±31.5 °C
Index of Refraction: 1.485
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.88
ACD/KOC (pH 5.5): 306.41
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.39
ACD/KOC (pH 7.4): 299.20
Polar Surface Area: 124 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

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