ChemSpider 2D Image | 6-Acetoxy-4-(ethoxymethyl)-4a-hydroxy-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate | C19H28O8

6-Acetoxy-4-(ethoxymethyl)-4a-hydroxy-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate

  • Molecular FormulaC19H28O8
  • Average mass384.421 Da
  • Monoisotopic mass384.178406 Da
  • ChemSpider ID24629281

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Acetoxy-4-(ethoxymethyl)-4a-hydroxy-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, 6-(acetyloxy)-4-(ethoxymethyl)-4a,5,6,7a-tetrahydro-4a-hydroxyspiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl ester [ACD/Index Name]
JATAMANVALTRATE M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 164.1±22.2 °C
Index of Refraction: 1.533
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 71.76
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 71.76
Polar Surface Area: 104 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 303.0±5.0 cm3

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