ChemSpider 2D Image | 2,2'-{[2-(Carboxylatomethoxy)-4-{[(2',7'-dichloro-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenyl]imino}diacetate | C33H17Cl2N2O13

2,2'-{[2-(Carboxylatomethoxy)-4-{[(2',7'-dichloro-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenyl]imino}diacetate

  • Molecular FormulaC33H17Cl2N2O13
  • Average mass720.402 Da
  • Monoisotopic mass719.013489 Da
  • ChemSpider ID23089905

  • Charge - Charge

More details:

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

2,2'-{[2-(Carboxylatomethoxy)-4-{[(2',7'-dichlor-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenyl]imino}diacetat [German] [ACD/IUPAC Name]
2,2'-{[2-(Carboxylatomethoxy)-4-{[(2',7'-dichloro-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenyl]imino}diacetate [ACD/IUPAC Name]
2,2'-{[2-(Carboxylatométhoxy)-4-{[(2',7'-dichloro-3-oxo-3',6'-dioxydo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phényl]imino}diacétate [French] [ACD/IUPAC Name]
Glycine, N-[2-(carboxymethoxy)-4-[[(2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)carbonyl]amino]phenyl]-N-(carboxymethyl)-, ion(5-) [ACD/Index Name]

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

Density:
Boiling Point: 961.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.7±3.0 kJ/mol
Flash Point: 535.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability:
Surface Tension:
Molar Volume:

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