ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]methionine | C16H25NO3S

N-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]methionine

  • Molecular FormulaC16H25NO3S
  • Average mass311.440 Da
  • Monoisotopic mass311.155518 Da
  • ChemSpider ID29366442

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Methionine, N-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]methionin [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]methionine [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbonyl]méthionine [French] [ACD/IUPAC Name]
2-[(1-adamantylcarbonyl)amino]-4-(methylthio)butanoic acid
2-[(1-ADAMANTYLCARBONYL)AMINO]-4-(METHYLTHIO)BUTANOICACID
21394-53-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 289.2±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.50
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


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