ChemSpider 2D Image | (2R,3S)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | C15H12O7

(2R,3S)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC15H12O7
  • Average mass304.252 Da
  • Monoisotopic mass304.058289 Da
  • ChemSpider ID31044143
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3S)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3S)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3S)-3,7-Dihydroxy-2-(3,4,5-trihydroxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)- [ACD/Index Name]
2,3-DIHYDROROBINETIN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 269.7±26.4 °C
Index of Refraction: 1.763
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 55.00
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 30.72
Polar Surface Area: 127 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 100.4±3.0 dyne/cm
Molar Volume: 178.7±3.0 cm3

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