ChemSpider 2D Image | (6S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl sulfamate | C12H21NO8S

(6S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl sulfamate

  • Molecular FormulaC12H21NO8S
  • Average mass339.362 Da
  • Monoisotopic mass339.098785 Da
  • ChemSpider ID23161257
  • defined stereocentres - 1 of 5 defined stereocentres


More details:






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

(6S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl sulfamate [ACD/IUPAC Name]
(6S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de (6S)-5-(2,2-diméthyl-1,3-dioxolan-4-yl)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-6-yle [French] [ACD/IUPAC Name]
CHEMBL302593
Sulfamic acid 5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.7±31.5 °C
Index of Refraction: 1.545
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: 1.04
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.64
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 77.68
Polar Surface Area: 124 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 234.8±5.0 cm3

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