ChemSpider 2D Image | NS-220 | C21H27NO5

NS-220

  • Molecular FormulaC21H27NO5
  • Average mass373.443 Da
  • Monoisotopic mass373.188934 Da
  • ChemSpider ID21258941

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Dioxane-2-carboxylic acid, 2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]butyl]-, cis- [ACD/Index Name]
2-methyl-c-5-(4-(5-methyl-2-(4-methylphenyl)-4-oxazolyl)butyl)-1,3-dioxane-r-2-carboxylic acid
Acide cis-2-méthyl-5-{4-[5-méthyl-2-(4-méthylphényl)-1,3-oxazol-4-yl]butyl}-1,3-dioxane-2-carboxylique [French] [ACD/IUPAC Name]
cis-2-Methyl-5-{4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl}-1,3-dioxan-2-carbonsäure [German] [ACD/IUPAC Name]
cis-2-Methyl-5-{4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl}-1,3-dioxane-2-carboxylic acid [ACD/IUPAC Name]
NS-220
2-Methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dioxane-2-carboxylic acid
2-methyl-c-5-{4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl}-1,3-dioxane-r-2-carboxylicacid
377731-45-8 [RN]
CHEMBL270960
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.3±32.9 °C
Index of Refraction: 1.529
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 324.4±3.0 cm3

Click to predict properties on the Chemicalize site


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