ChemSpider 2D Image | 2-{2-(2-Amino-2-carboxyethoxy)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5-[2-(2,4-dinitrophenyl)vinyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C24H23N5O11S2

2-{2-(2-Amino-2-carboxyethoxy)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5-[2-(2,4-dinitrophenyl)vinyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC24H23N5O11S2
  • Average mass621.596 Da
  • Monoisotopic mass621.083557 Da
  • ChemSpider ID4364485

More details:

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

2-{2-(2-Amino-2-carboxyethoxy)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5-[2-(2,4-dinitrophenyl)vinyl]-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
2-{2-(2-Amino-2-carboxyethoxy)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5-[2-(2,4-dinitrophenyl)vinyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-2-acetic acid, 4-carboxy-5-[2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-α-[[2-(2-thienyl)acetyl]amino]-, α-(2-amino-2-carboxyethyl) ester [ACD/Index Name]
Acide 2-[2-(2-amino-2-carboxyéthoxy)-2-oxo-1-{[2-(2-thiényl)acétyl]amino}éthyl]-5-[2-(2,4-dinitrophényl)vinyl]-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: 1.6±0.1 g/cm3
Boiling Point: 947.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.5±3.0 kJ/mol
Flash Point: 526.8±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 92.4±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

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