ChemSpider 2D Image | S-(2-Amino-2-carboxyethyl)-L-(3,3,4,4-~2~H_4_)homocysteine | C7H10D4N2O4S

S-(2-Amino-2-carboxyethyl)-L-(3,3,4,4-2H4)homocysteine

  • Molecular FormulaC7H10D4N2O4S
  • Average mass226.287 Da
  • Monoisotopic mass226.092529 Da
  • ChemSpider ID60497991

  • defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Homocysteine-3,3,4,4-d4, S-(2-amino-2-carboxyethyl)- [ACD/Index Name]
S-(2-Amino-2-carboxyethyl)-L-(3,3,4,4-2H4)homocystein [German] [ACD/IUPAC Name]
S-(2-Amino-2-carboxyethyl)-L-(3,3,4,4-2H4)homocysteine [ACD/IUPAC Name]
S-(2-Amino-2-carboxyéthyl)-L-(3,3,4,4-2H4)homocystéine [French] [ACD/IUPAC Name]
S-[(2-RS)-2-Amino-2-carboxyethyl]-L-homocysteine-3,3,4,4-d4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.7±6.0 kJ/mol
Flash Point: 244.7±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 52.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -3.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 155.4±3.0 cm3

Click to predict properties on the Chemicalize site


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