ChemSpider 2D Image | (6R)-6-[(1R,2R)-1-Hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one | C14H16O4

(6R)-6-[(1R,2R)-1-Hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC14H16O4
  • Average mass248.274 Da
  • Monoisotopic mass248.104858 Da
  • ChemSpider ID23339574

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R)-6-[(1R,2R)-1-Hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-[(1R,2R)-1-Hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-6-[(1R,2R)-1-Hydroxy-2-méthoxy-2-phényléthyl]-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-6-[(1R,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-, (6R)- [ACD/Index Name]
6R-(7R-hydroxy-8R-methoxy-8-phenyl)-5,6-dihydro-2-pyrone
6R,7R,8R-8-METHOXYGONIODIOL
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465756/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 165.0±20.8 °C
Index of Refraction: 1.558
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.71
ACD/KOC (pH 5.5): 202.58
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.71
ACD/KOC (pH 7.4): 202.58
Polar Surface Area: 56 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 204.7±3.0 cm3

Click to predict properties on the Chemicalize site


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