ChemSpider 2D Image | (1S,9aS,9bR)-5-Hydroxy-7-(hydroxymethyl)-1-isopropoxy-9b-methyl-9a,9b-dihydrocyclopenta[6,7]naphtho[1,8-bc]furan-9(1H)-one | C19H20O5

(1S,9aS,9bR)-5-Hydroxy-7-(hydroxymethyl)-1-isopropoxy-9b-methyl-9a,9b-dihydrocyclopenta[6,7]naphtho[1,8-bc]furan-9(1H)-one

  • Molecular FormulaC19H20O5
  • Average mass328.359 Da
  • Monoisotopic mass328.131073 Da
  • ChemSpider ID78436500

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9aS,9bR)-5-Hydroxy-7-(hydroxymethyl)-1-isopropoxy-9b-methyl-9a,9b-dihydrocyclopenta[6,7]naphtho[1,8-bc]furan-9(1H)-on [German] [ACD/IUPAC Name]
(1S,9aS,9bR)-5-Hydroxy-7-(hydroxymethyl)-1-isopropoxy-9b-methyl-9a,9b-dihydrocyclopenta[6,7]naphtho[1,8-bc]furan-9(1H)-one [ACD/IUPAC Name]
(1S,9aS,9bR)-5-Hydroxy-7-(hydroxyméthyl)-1-isopropoxy-9b-méthyl-9a,9b-dihydrocyclopenta[6,7]naphto[1,8-bc]furan-9(1H)-one [French] [ACD/IUPAC Name]
Cyclopenta[6,7]naphtho[1,8-bc]furan-9(1H)-one, 9a,9b-dihydro-5-hydroxy-7-(hydroxymethyl)-9b-methyl-1-(1-methylethoxy)-, (1S,9aS,9bR)- [ACD/Index Name]
Fomitellanol A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 194.6±23.6 °C
Index of Refraction: 1.650
Molar Refractivity: 86.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.04
ACD/KOC (pH 5.5): 338.90
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.94
ACD/KOC (pH 7.4): 337.47
Polar Surface Area: 76 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 237.9±5.0 cm3

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