ChemSpider 2D Image | (2S,3S,4R)-3-Hydroxy-4-methoxy-2-methyl-7-(3-methyl-2-oxiranyl)-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-one | C13H16O6

(2S,3S,4R)-3-Hydroxy-4-methoxy-2-methyl-7-(3-methyl-2-oxiranyl)-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-one

  • Molecular FormulaC13H16O6
  • Average mass268.263 Da
  • Monoisotopic mass268.094696 Da
  • ChemSpider ID78441084

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2S,3S,4R)-3-Hydroxy-4-methoxy-2-methyl-7-(3-methyl-2-oxiranyl)-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-on [German] [ACD/IUPAC Name]
(2S,3S,4R)-3-Hydroxy-4-methoxy-2-methyl-7-(3-methyl-2-oxiranyl)-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-one [ACD/IUPAC Name]
(2S,3S,4R)-3-Hydroxy-4-méthoxy-2-méthyl-7-(3-méthyl-2-oxiranyl)-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-one [French] [ACD/IUPAC Name]
2H,5H-Pyrano[4,3-b]pyran-5-one, 3,4-dihydro-3-hydroxy-4-methoxy-2-methyl-7-(3-methyloxiranyl)-, (2S,3S,4R)- [ACD/Index Name]
9,10-epoxy-3-methoxy-3-epiradicinol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 454.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 175.0±22.2 °C
Index of Refraction: 1.566
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.91
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.91
Polar Surface Area: 78 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 195.6±5.0 cm3

Click to predict properties on the Chemicalize site


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