ChemSpider 2D Image | (2S,3S)-3-{2-[(2R)-3,3-Dimethyl-2-oxiranyl]-2-oxoethyl}-2,3,9-trimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one | C20H22O5

(2S,3S)-3-{2-[(2R)-3,3-Dimethyl-2-oxiranyl]-2-oxoethyl}-2,3,9-trimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID23339362

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-3-{2-[(2R)-3,3-Dimethyl-2-oxiranyl]-2-oxoethyl}-2,3,9-trimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-on [German] [ACD/IUPAC Name]
(2S,3S)-3-{2-[(2R)-3,3-Dimethyl-2-oxiranyl]-2-oxoethyl}-2,3,9-trimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one [ACD/IUPAC Name]
(2S,3S)-3-{2-[(2R)-3,3-Diméthyl-2-oxiranyl]-2-oxoéthyl}-2,3,9-triméthyl-2,3-dihydro-4H-furo[3,2-c]chromén-4-one [French] [ACD/IUPAC Name]
4H-Furo[3,2-c][1]benzopyran-4-one, 3-[2-[(2R)-3,3-dimethyloxiranyl]-2-oxoethyl]-2,3-dihydro-2,3,9-trimethyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-3-{2-[(2R)-3,3-dimethyloxiran-2-yl]-2-oxoethyl}-2,3,9-trimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one
2'-epicycloisobrachycoumarinone epoxide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465559/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 273.5±18.1 °C
Index of Refraction: 1.586
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.17
ACD/KOC (pH 5.5): 1281.67
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.17
ACD/KOC (pH 7.4): 1281.67
Polar Surface Area: 65 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 269.3±5.0 cm3

Click to predict properties on the Chemicalize site


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