ChemSpider 2D Image | (2E)-7-(2-Amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid | C23H20N4O9S2

(2E)-7-(2-Amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid

  • Molecular FormulaC23H20N4O9S2
  • Average mass560.556 Da
  • Monoisotopic mass560.067139 Da
  • ChemSpider ID4590274
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-7-(2-Amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]-5-hydroxy-2H-1,4-benzothiazin-3-carbonsäure [German] [ACD/IUPAC Name]
(2E)-7-(2-Amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid [ACD/IUPAC Name]
2H-1,4-Benzothiazine-7-propanoic acid, α-amino-2-[7-(2-amino-2-carboxyethyl)-3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzothiazin-2-ylidene]-3-carboxy-5-hydroxy-, (2E)- [ACD/Index Name]
Acide (2E)-7-(2-amino-2-carboxyéthyl)-2-[7-(2-amino-2-carboxyéthyl)-5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidène]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylique [French] [ACD/IUPAC Name]
32214-49-6 [RN]
Trichochrome C
α-Amino-2-(7-(2-amino-2-carboxyethyl)-3-carboxy-5-hydroxy-2H-1,4-benzothiazin-2-ylidene)-3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzothiazine- 7-propanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.845
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -5.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 96.6±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site






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