Found 8 results

Search term: HWSHVKNLMBMKSR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl [(4R,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | C14H27NO4

2-Methyl-2-propanyl [(4R,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

  • Molecular FormulaC14H27NO4
  • Average mass273.368 Da
  • Monoisotopic mass273.194000 Da
  • ChemSpider ID26564248

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4R,6S)-6-(2-Aminoéthyl)-2,2-diméthyl-1,3-dioxan-4-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)- [ACD/Index Name]
2-Methyl-2-propanyl [(4R,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(4R,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetat [German] [ACD/IUPAC Name]
(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
125995-13-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 339.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 96.8±17.3 °C
Index of Refraction: 1.446
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

Click to predict properties on the Chemicalize site


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