ChemSpider 2D Image | (2R)-2-[(R)-Amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C8H12N2O4S

(2R)-2-[(R)-Amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC8H12N2O4S
  • Average mass232.257 Da
  • Monoisotopic mass232.051773 Da
  • ChemSpider ID35034949

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(R)-Amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(R)-Amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-2-acetic acid, α-amino-4-carboxy-3,6-dihydro-5-methyl-, (αR,2R)- [ACD/Index Name]
Acide (2R)-2-[(R)-amino(carboxy)méthyl]-5-méthyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]
2V0

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

Density: 1.5±0.1 g/cm3
Boiling Point: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 157.4±3.0 cm3

Click to predict properties on the Chemicalize site


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