ChemSpider 2D Image | merulin C | C15H22O5

merulin C

  • Molecular FormulaC15H22O5
  • Average mass282.332 Da
  • Monoisotopic mass282.146729 Da
  • ChemSpider ID26286196

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,6S,9R,10S)-10-Hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridec-3-en-5-on [German] [ACD/IUPAC Name]
(1R,6S,9R,10S)-10-Hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridec-3-en-5-one [ACD/IUPAC Name]
(1R,6S,9R,10S)-10-Hydroxy-10-(hydroxyméthyl)-2,2,6-triméthyl-7,8-dioxatricyclo[7.3.1.01,6]tridéc-3-én-5-one [French] [ACD/IUPAC Name]
7H-3,6a-Methano-1,2-benzodioxocin-10(10aH)-one, 3,4,5,6-tetrahydro-4-hydroxy-4-(hydroxymethyl)-7,7,10a-trimethyl-, (3R,4S,6aR,10aS)- [ACD/Index Name]
merulin C
Merulin C, (rel)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 415.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 151.1±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.29
ACD/KOC (pH 5.5): 144.33
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.29
ACD/KOC (pH 7.4): 144.33
Polar Surface Area: 76 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 219.5±5.0 cm3

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