ChemSpider 2D Image | MFCD09752150 | C12H9D12NO8S

MFCD09752150

  • Molecular FormulaC12H9D12NO8S
  • Average mass351.436 Da
  • Monoisotopic mass351.174103 Da
  • ChemSpider ID23937276

  • 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[(2H3)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}methyl sulfamate [ACD/IUPAC Name]
{(3aS,5aR,8aR,8bS)-2,2,7,7-Tetrakis[(2H3)methyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}methylsulfamat [German] [ACD/IUPAC Name]
1279037-95-4 [RN]
200-659-6 [EINECS]
MFCD09752150
Sulfamate de {(3aS,5aR,8aR,8bS)-2,2,7,7-tétrakis[(2H3)méthyl]tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl}méthyle [French] [ACD/IUPAC Name]
Topiramate-d12
[(3aS,5aR,8aR,8bS)-2,2,7,7-tetrakis(trideuteriomethyl)-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',4'-d]pyran-3a-yl]methyl sulfamate
[1279037-95-4] [RN]
2,3:4,5-Di-O-(isopropylidene)-β-D-fructopyranose sulfamate
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Deuterated topiramate (Cat. No. 3620) Tocris Bioscience 5541
      Deuterated topiramate (Cat. No. 3620). Tocris Bioscience 5541
      Deuterated topiramate. Topiramate also available. Tocris Bioscience 5541
      Reagents Tocris Bioscience 5541
      Stable Isotopically Labeled Compounds Tocris Bioscience 5541

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

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


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