ChemSpider 2D Image | S-Ethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-homocysteine | C11H21NO4S

S-Ethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-homocysteine

  • Molecular FormulaC11H21NO4S
  • Average mass263.354 Da
  • Monoisotopic mass263.119141 Da
  • ChemSpider ID26951441

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Homocysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-ethyl- [ACD/Index Name]
S-Ethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-homocystein [German] [ACD/IUPAC Name]
S-Ethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-homocysteine [ACD/IUPAC Name]
S-Éthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-homocystéine [French] [ACD/IUPAC Name]
(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-(ETHYLSULFANYL)BUTANOIC ACID
(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-(ethylsulfanyl)butanoic acid
(2R)-4-ethylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
108329-74-4 [RN]
Boc-D-2-amino-4-(ethylthio)butyric acid
boc-d-2-amino-4-(ethylthio)butyricacid
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 211.7±27.3 °C
Index of Refraction: 1.498
Molar Refractivity: 67.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

Click to predict properties on the Chemicalize site


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