ChemSpider 2D Image | pleurospiroketal A | C15H22O5

pleurospiroketal A

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID28536080

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3aR,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-trimethyl-3-methyleneoctahydro-3H,3'H-spiro[1-benzofuran-2,2'-furan]-3'-one [ACD/IUPAC Name]
(2R,3aR,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-triméthyl-3-méthylèneoctahydro-3H,3'H-spiro[1-benzofuran-2,2'-furan]-3'-one [French] [ACD/IUPAC Name]
(2R,3aR,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-trimethyl-3-methylenoctahydro-3H,3'H-spiro[1-benzofuran-2,2'-furan]-3'-on [German] [ACD/IUPAC Name]
pleurospiroketal A
Spiro[benzofuran-2(3H),2'(3'H)-furan]-3'-one, octahydro-6,7-dihydroxy-5',5',6-trimethyl-3-methylene-, (2R,3aR,6S,7R,7aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 155.3±22.2 °C
Index of Refraction: 1.557
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.82
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.82
Polar Surface Area: 76 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 222.2±5.0 cm3

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