ChemSpider 2D Image | 2-Methyl-2-propanyl [2-({[(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexyl]carbonyl}amino)ethyl]carbamate | C14H26N2O7

2-Methyl-2-propanyl [2-({[(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexyl]carbonyl}amino)ethyl]carbamate

  • Molecular FormulaC14H26N2O7
  • Average mass334.365 Da
  • Monoisotopic mass334.174011 Da
  • ChemSpider ID24633750

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[2-({[(1S,3R,4S,5R)-1,3,4,5-Tétrahydroxycyclohexyl]carbonyl}amino)éthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [2-({[(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexyl]carbonyl}amino)ethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-({[(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexyl]carbonyl}amino)ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[[(1α,3α,4α,5β)-1,3,4,5-tetrahydroxycyclohexyl]carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.63
Polar Surface Area: 148 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 244.3±3.0 cm3

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