Found 855 results

Search term: MF = 'C_{9}H_{19}NO_{5}S'
ChemSpider 2D Image | (6R)-6-(2-Methoxyethoxy)-4-(methylsulfonyl)-1,4-oxazepane | C9H19NO5S

(6R)-6-(2-Methoxyethoxy)-4-(methylsulfonyl)-1,4-oxazepane

  • Molecular FormulaC9H19NO5S
  • Average mass253.316 Da
  • Monoisotopic mass253.098389 Da
  • ChemSpider ID29855732

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-(2-Methoxyethoxy)-4-(methylsulfonyl)-1,4-oxazepan [German] [ACD/IUPAC Name]
(6R)-6-(2-Methoxyethoxy)-4-(methylsulfonyl)-1,4-oxazepane [ACD/IUPAC Name]
(6R)-6-(2-Méthoxyéthoxy)-4-(méthylsulfonyl)-1,4-oxazépane [French] [ACD/IUPAC Name]
1,4-Oxazepine, hexahydro-6-(2-methoxyethoxy)-4-(methylsulfonyl)-, (6R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.5±30.7 °C
Index of Refraction: 1.494
Molar Refractivity: 59.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.06
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.06
Polar Surface Area: 73 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 204.6±5.0 cm3

Click to predict properties on the Chemicalize site


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