ChemSpider 2D Image | (2R,5Z)-5-(Acetoxymethylene)-2-[(1R)-1-formamido-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C11H12N2O6S

(2R,5Z)-5-(Acetoxymethylene)-2-[(1R)-1-formamido-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC11H12N2O6S
  • Average mass300.288 Da
  • Monoisotopic mass300.041595 Da
  • ChemSpider ID35034931

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5Z)-5-(Acetoxymethylen)-2-[(1R)-1-formamido-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,5Z)-5-(Acetoxymethylene)-2-[(1R)-1-formamido-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
(2r,5z)-5-[(Acetyloxy)methylidene]-2-[(1r)-1-(Formylamino)-2-Oxoethyl]-5,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid
2H-1,3-Thiazine-4-carboxylic acid, 5-[(acetyloxy)methylene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-, (2R,5Z)- [ACD/Index Name]
Acide (2R,5Z)-5-(acétoxyméthylène)-2-[(1R)-1-formamido-2-oxoéthyl]-5,6-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: 1.5±0.1 g/cm3
Boiling Point: 588.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -3.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 197.2±7.0 cm3

Click to predict properties on the Chemicalize site


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