ChemSpider 2D Image | [(3aR,5aS,8aS,8bS)-7,7-Dimethyl-2,2-dioxidotetrahydro[1,3]dioxolo[4,5-e][1,3,2]benzodioxathiol-5a(3aH)-yl]methyl sulfamate | C10H17NO9S2

[(3aR,5aS,8aS,8bS)-7,7-Dimethyl-2,2-dioxidotetrahydro[1,3]dioxolo[4,5-e][1,3,2]benzodioxathiol-5a(3aH)-yl]methyl sulfamate

  • Molecular FormulaC10H17NO9S2
  • Average mass359.373 Da
  • Monoisotopic mass359.034485 Da
  • ChemSpider ID18807841
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(3aR,5aS,8aS,8bS)-7,7-Dimethyl-2,2-dioxidotetrahydro[1,3]dioxolo[4,5-e][1,3,2]benzodioxathiol-5a(3aH)-yl]methyl sulfamate [ACD/IUPAC Name]
[(3aR,5aS,8aS,8bS)-7,7-Dimethyl-2,2-dioxidotetrahydro[1,3]dioxolo[4,5-e][1,3,2]benzodioxathiol-5a(3aH)-yl]methylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de [(3aR,5aS,8aS,8bS)-7,7-diméthyl-2,2-dioxydotétrahydro[1,3]dioxolo[4,5-e][1,3,2]benzodioxathiol-5a(3aH)-yl]méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(3aR,5aS,8aS,8bS)-tetrahydro-7,7-dimethyl-2,2-dioxido[1,3]dioxolo[4,5-e]-1,3,2-benzodioxathiol-5a(3aH)-yl]methyl ester [ACD/Index Name]
Sulfamic acid 7,7-dimethyl-2,2-dioxo-tetrahydro-1,3,6,8-tetraoxa-2λ*6*-thia-as-indacen-5a-ylmethyl ester

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

Density: 1.6±0.1 g/cm3
Boiling Point: 528.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.7±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.38
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.74
Polar Surface Area: 157 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 231.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement