ChemSpider 2D Image | (1R)-1-[(1R,3R,6R,8R,9S)-8-Acetoxy-4-methyl-7-oxatricyclo[4.3.0.0~3,9~]non-4-en-9-yl]-4-methyl-2-oxo-3-penten-1-yl acetate | C19H24O6

(1R)-1-[(1R,3R,6R,8R,9S)-8-Acetoxy-4-methyl-7-oxatricyclo[4.3.0.03,9]non-4-en-9-yl]-4-methyl-2-oxo-3-penten-1-yl acetate

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID26637216
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(1R)-1-[(1R,3R,6R,8R,9S)-8-Acetoxy-4-methyl-7-oxatricyclo[4.3.0.03,9]non-4-en-9-yl]-4-methyl-2-oxo-3-penten-1-yl acetate [ACD/IUPAC Name]
(1R)-1-[(1R,3R,6R,8R,9S)-8-Acetoxy-4-methyl-7-oxatricyclo[4.3.0.03,9]non-4-en-9-yl]-4-methyl-2-oxo-3-penten-1-yl-acetat [German] [ACD/IUPAC Name]
3-Penten-2-one, 1-(acetyloxy)-1-[(1R,3R,6R,8R,9S)-8-(acetyloxy)-4-methyl-7-oxatricyclo[4.3.0.03,9]non-4-en-9-yl]-4-methyl-, (1R)- [ACD/Index Name]
Acétate de (1R)-1-[(1R,3R,6R,8R,9S)-8-acétoxy-4-méthyl-7-oxatricyclo[4.3.0.03,9]non-4-én-9-yl]-4-méthyl-2-oxo-3-pentén-1-yle [French] [ACD/IUPAC Name]
clavigerin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 448.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 195.2±28.8 °C
Index of Refraction: 1.538
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.29
ACD/KOC (pH 5.5): 968.90
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.29
ACD/KOC (pH 7.4): 968.90
Polar Surface Area: 79 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 283.8±5.0 cm3

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