ChemSpider 2D Image | (3R)-3-Hydroxy-5,6,7-trimethoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C20H22O7

(3R)-3-Hydroxy-5,6,7-trimethoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID29355852

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R)-2,3-Dihydro-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-4H-1-benzopyran-4-one
(3R)-3-Hydroxy-5,6,7-trimethoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-5,6,7-trimethoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3-Hydroxy-5,6,7-triméthoxy-3-(4-méthoxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
1432501-10-4 [RN]
4H-1-Benzopyran-4-one, 2,3-dihydro-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-, (3R)- [ACD/Index Name]
(+)-Urgineanin A
(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
urgineanin 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: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 200.9±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.38
ACD/KOC (pH 5.5): 716.25
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.38
ACD/KOC (pH 7.4): 716.22
Polar Surface Area: 83 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 293.5±3.0 cm3

Click to predict properties on the Chemicalize site


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