ChemSpider 2D Image | 1,1'-{[(1Z)-1,2,3-Trihydroxy-4-oxo-1-butene-1,4-diyl]bis(oxy)}bis(5-hydroxy-1,3-dihydro-2H-pyrrol-2-one) | C12H12N2O10

1,1'-{[(1Z)-1,2,3-Trihydroxy-4-oxo-1-butene-1,4-diyl]bis(oxy)}bis(5-hydroxy-1,3-dihydro-2H-pyrrol-2-one)

  • Molecular FormulaC12H12N2O10
  • Average mass344.231 Da
  • Monoisotopic mass344.049194 Da
  • ChemSpider ID95721053

More details:

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

1,1'-{[(1Z)-1,2,3-Trihydroxy-4-oxo-1-buten-1,4-diyl]bis(oxy)}bis(5-hydroxy-1,3-dihydro-2H-pyrrol-2-on) [German] [ACD/IUPAC Name]
1,1'-{[(1Z)-1,2,3-Trihydroxy-4-oxo-1-butene-1,4-diyl]bis(oxy)}bis(5-hydroxy-1,3-dihydro-2H-pyrrol-2-one) [ACD/IUPAC Name]
1,1'-{[(1Z)-1,2,3-Trihydroxy-4-oxo-1-butène-1,4-diyl]bis(oxy)}bis(5-hydroxy-1,3-dihydro-2H-pyrrol-2-one) [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1,1'-[[(1Z)-1,2,3-trihydroxy-4-oxo-1-butene-1,4-diyl]bis(oxy)]bis[1,3-dihydro-5-hydroxy- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 704.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 379.8±35.7 °C
Index of Refraction: 1.767
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.12
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.84
Polar Surface Area: 177 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 137.1±5.0 dyne/cm
Molar Volume: 172.8±5.0 cm3

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