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Search term: POOBXVPMJBGTRO-VXNVDRBHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2-[(1R)-1-Acetamido-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C10H14N2O4S

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

  • Molecular FormulaC10H14N2O4S
  • Average mass258.294 Da
  • Monoisotopic mass258.067413 Da
  • ChemSpider ID35035775

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2r)-2-[(1r)-1-(Acetylamino)-2-Oxoethyl]-5-Methyl-3,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid
(2R)-2-[(1R)-1-Acetamido-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(1R)-1-Acetamido-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-4-carboxylic acid, 2-[(1R)-1-(acetylamino)-2-oxoethyl]-3,6-dihydro-5-methyl-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(1R)-1-acétamido-2-oxoéthyl]-5-méthyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 195.4±3.0 cm3

Click to predict properties on the Chemicalize site


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