PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


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

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

  • Molecular FormulaC12H21NO8S
  • Average mass339.362 Da
  • Monoisotopic mass339.098785 Da
  • ChemSpider ID23161233
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

[(3aS,5aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate [ACD/IUPAC Name]
[(3aS,5aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name)
[(3aS,5aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de [(3aS,5aR,8bS)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]méthyle [French] [ACD/IUPAC Name]
[97240-79-4]
4',5'-d]pyran-3a-ylmethyl ester
4',5'-d]pyran-3a-ylmethyl ester (Topiramate)
97240-79-4 [RN]
MFCD00865320 [MDL number]
Sulfamic acid 2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
More...

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