ChemSpider 2D Image | [(3aS,3bR,7aS,8aS)-2,2,5,5-Tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-8a-yl]methyl sulfamoylcarbamate | C13H22N2O9S

[(3aS,3bR,7aS,8aS)-2,2,5,5-Tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-8a-yl]methyl sulfamoylcarbamate

  • Molecular FormulaC13H22N2O9S
  • Average mass382.387 Da
  • Monoisotopic mass382.104614 Da
  • ChemSpider ID23237777

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aS,3bR,7aS,8aS)-2,2,5,5-Tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-8a-yl]methyl sulfamoylcarbamate [ACD/IUPAC Name]
[(3aS,3bR,7aS,8aS)-2,2,5,5-Tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-8a-yl]methyl-sulfamoylcarbamat [German] [ACD/IUPAC Name]
Sulfamoylcarbamate de [(3aS,3bR,7aS,8aS)-2,2,5,5-tétraméthyltétrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-8a-yl]méthyle [French] [ACD/IUPAC Name]
[(3aS,3bR,7aS,8aS)-2,2,5,5-tetramethyltetrahydro-8aH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-8a-yl]methyl aminosulfonylcarbamate
CHEMBL354527
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL354527/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.511
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.18
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 153 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 276.3±3.0 cm3

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