ChemSpider 2D Image | 5-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-2-pyrrolidinone | C19H19NO7

5-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-2-pyrrolidinone

  • Molecular FormulaC19H19NO7
  • Average mass373.357 Da
  • Monoisotopic mass373.116150 Da
  • ChemSpider ID28286223

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2-Pyrrolidinone, 5-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]- [ACD/Index Name]
5-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-2-pyrrolidinone [ACD/IUPAC Name]
5-[(2R,3R)-2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-6-yl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
5 : 3 mix of diastereomers

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

Density: 1.6±0.1 g/cm3
Boiling Point: 810.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.50
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.89
Polar Surface Area: 139 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 83.9±3.0 dyne/cm
Molar Volume: 238.2±3.0 cm3

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