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Search term: 58128086 (Found by CSID)
ChemSpider 2D Image | 1-[2-(4-Hydroxyphenyl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pyrrole-2-carbaldehyde | C16H19NO5

1-[2-(4-Hydroxyphenyl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pyrrole-2-carbaldehyde

  • Molecular FormulaC16H19NO5
  • Average mass305.326 Da
  • Monoisotopic mass305.126312 Da
  • ChemSpider ID58128086

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[2-(4-Hydroxyphenyl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pyrrol-2-carbaldehyd [German] [ACD/IUPAC Name]
1-[2-(4-Hydroxyphenyl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pyrrole-2-carbaldehyde [ACD/IUPAC Name]
1-[2-(4-Hydroxyphényl)éthyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pyrrole-2-carbaldéhyde [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxaldehyde, 1-[2-(4-hydroxyphenyl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]- [ACD/Index Name]
Jiangrine A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 244.1±27.3 °C
Index of Refraction: 1.606
Molar Refractivity: 79.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.81
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.77
Polar Surface Area: 103 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 230.4±7.0 cm3

Click to predict properties on the Chemicalize site


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