ChemSpider 2D Image | Fura-2 | C29H27N3O14

Fura-2

  • Molecular FormulaC29H27N3O14
  • Average mass641.536 Da
  • Monoisotopic mass641.149292 Da
  • ChemSpider ID51442

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2-{6-[Bis(carboxymethyl)amino]-5-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-1-benzofuran-2-yl}-1,3-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-{6-[Bis(carboxymethyl)amino]-5-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-1-benzofuran-2-yl}-1,3-oxazole-5-carboxylic acid [ACD/IUPAC Name]
5-Oxazolecarboxylic acid, 2-(6-(bis(carboxymethyl)amino)-5-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)-2-benzofuranyl)-
96314-98-6 [RN]
Acide 2-{6-[bis(carboxyméthyl)amino]-5-(2-{2-[bis(carboxyméthyl)amino]-5-méthylphénoxy}éthoxy)-1-benzofuran-2-yl}-1,3-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
Fura-2
[96314-98-6]
2-[6-(bis(carboxymethyl)amino)-5-[2-[2-(bis(carboxymethyl)amino)-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
2-[6-(bis(carboxymethyl)amino)-5-[2-[2-(bis(carboxymethyl)amino)-5-methyl-phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
2-[6-(bis(carboxymethyl)amino)-5-[2-[2-(bis(carboxymethyl)amino)-5-methylphenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TSN3DL106G [DBID]
UNII:TSN3DL106G [DBID]
UNII-TSN3DL106G [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 983.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.2±3.0 kJ/mol
Flash Point: 548.6±37.1 °C
Index of Refraction: 1.684
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -5.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 83.0±3.0 dyne/cm
Molar Volume: 405.9±3.0 cm3

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