ChemSpider 2D Image | 2-{3-[5-(Ethoxycarbonyl)-2-furyl]-5-hydroxy-4-oxo-4H-chromen-7-yl} 1-(2-methyl-2-propanyl) (2S)-1,2-pyrrolidinedicarboxylate | C26H27NO10

2-{3-[5-(Ethoxycarbonyl)-2-furyl]-5-hydroxy-4-oxo-4H-chromen-7-yl} 1-(2-methyl-2-propanyl) (2S)-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC26H27NO10
  • Average mass513.493 Da
  • Monoisotopic mass513.163513 Da
  • ChemSpider ID21834882

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2-Pyrrolidinedicarboxylate de 2-{3-[5-(éthoxycarbonyl)-2-furyl]-5-hydroxy-4-oxo-4H-chromén-7-yle} et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-[3-[5-(ethoxycarbonyl)-2-furanyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl] ester, (2S)- [ACD/Index Name]
2-{3-[5-(Ethoxycarbonyl)-2-furyl]-5-hydroxy-4-oxo-4H-chromen-7-yl} 1-(2-methyl-2-propanyl) (2S)-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-{3-[5-(Ethoxycarbonyl)-2-furyl]-5-hydroxy-4-oxo-4H-chromen-7-yl}-1-(2-methyl-2-propanyl)-(2S)-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(S)-1-tert-butyl 2-(3-(5-(ethoxycarbonyl)furan-2-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate
1-tert-butyl 2-{3-[5-(ethoxycarbonyl)furan-2-yl]-5-hydroxy-4-oxo-4H-chromen-7-yl} (2S)-pyrrolidine-1,2-dicarboxylate
Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-[3-(5-ethoxycarbonyl-furan-2-yl)-5-hydroxy-4-oxo-4H-chromen-7-yl] ester
tert-butyl (2S)-2-({3-[5-(ethoxycarbonyl)(2-furyl)]-5-hydroxy-4-oxochromen-7-yl}oxycarbonyl)pyrrolidinecarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 368.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 819.19
ACD/KOC (pH 5.5): 3336.34
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 19.27
ACD/KOC (pH 7.4): 78.49
Polar Surface Area: 142 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

Click to predict properties on the Chemicalize site


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