ChemSpider 2D Image | MFCD20487835 | C19H20O5

MFCD20487835

  • Molecular FormulaC19H20O5
  • Average mass328.359 Da
  • Monoisotopic mass328.131073 Da
  • ChemSpider ID24671317

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-2,3-Dihydro-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4H-1-benzopyran-4-one
(3R)-5,7-Dihydroxy-3-(4-methoxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-methoxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-méthoxybenzyl)-6,8-diméthyl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-, (3R)- [ACD/Index Name]
74805-91-7 [RN]
methylophiopogonanone B
MFCD20487835
(R)-5,7-dihydroxy-3-(4-methoxybenzyl)-6,8-dimethylchroman-4-one
[74805-91-7] [RN]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.5±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 201.5±23.3 °C
Index of Refraction: 1.617
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1695.94
ACD/KOC (pH 5.5): 7124.76
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1323.53
ACD/KOC (pH 7.4): 5560.23
Polar Surface Area: 76 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 255.5±3.0 cm3

Click to predict properties on the Chemicalize site


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