ChemSpider 2D Image | (5S)-5-(3-Chlorophenyl)-4-(5-methyl-2-furoyl)-2-oxo-1-[(2R)-tetrahydro-2-furanylmethyl]-2,5-dihydro-1H-pyrrol-3-olate | C21H19ClNO5

(5S)-5-(3-Chlorophenyl)-4-(5-methyl-2-furoyl)-2-oxo-1-[(2R)-tetrahydro-2-furanylmethyl]-2,5-dihydro-1H-pyrrol-3-olate

  • Molecular FormulaC21H19ClNO5
  • Average mass400.833 Da
  • Monoisotopic mass400.095734 Da
  • ChemSpider ID116084122

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-(3-Chlorophenyl)-4-(5-methyl-2-furoyl)-2-oxo-1-[(2R)-tetrahydro-2-furanylmethyl]-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-5-(3-Chlorophényl)-4-(5-méthyl-2-furoyl)-2-oxo-1-[(2R)-tétrahydro-2-furanylméthyl]-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
(5S)-5-(3-Chlorphenyl)-4-(5-methyl-2-furoyl)-2-oxo-1-[(2R)-tetrahydro-2-furanylmethyl]-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 5-(3-chlorophenyl)-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]-1-[[(2R)-tetrahydro-2-furanyl]methyl]-, ion(1-), (5S)- [ACD/Index Name]

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

ZINC00702755 [DBID]

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

Density:
Boiling Point: 606.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 47.15
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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