ChemSpider 2D Image | {(3aS,8bS)-2,2,7,7-Tetrakis[(~2~H_3_)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}methyl sulfamate (non-preferred name) | C12H9D12NO8S

{(3aS,8bS)-2,2,7,7-Tetrakis[(2H3)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}methyl sulfamate (non-preferred name)

  • Molecular FormulaC12H9D12NO8S
  • Average mass351.436 Da
  • Monoisotopic mass351.174103 Da
  • ChemSpider ID68894561
  • defined stereocentres - 2 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

{(3aS,8bS)-2,2,7,7-Tetrakis[(2H3)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}methyl sulfamate (non-preferred name) [ACD/IUPAC Name]
{(3aS,8bS)-2,2,7,7-Tetrakis[(2H3)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}methylsulfamat (non-preferred name) [German] [ACD/IUPAC Name]
Sulfamate de {(3aS,8bS)-2,2,7,7-tétrakis[(2H3)méthyl]tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}méthyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.1±31.5 °C
Index of Refraction: 1.497
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: 2.97
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.26
ACD/KOC (pH 5.5): 351.12
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.90
ACD/KOC (pH 7.4): 346.04
Polar Surface Area: 124 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 253.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement