Found 4 results

Search term: KJSNDUWCYCALLS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate | C11H21NO4

2-Methyl-2-propanyl [(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate

  • Molecular FormulaC11H21NO4
  • Average mass231.289 Da
  • Monoisotopic mass231.147064 Da
  • ChemSpider ID110548850

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,3R,4S)-3-Hydroxy-4-(hydroxyméthyl)cyclopentyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-, 1,1-dimethylethyl ester [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: 385.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 186.7±25.9 °C
Index of Refraction: 1.506
Molar Refractivity: 59.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.30
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.30
Polar Surface Area: 79 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 200.1±5.0 cm3

Click to predict properties on the Chemicalize site


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