ChemSpider 2D Image | myristicyclin A | C25H30O6

myristicyclin A

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID30830031

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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Natural Product Updates

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

1-[(1R,9S)-3,5,13-Trihydroxy-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-6-yl]-1-decanon [German] [ACD/IUPAC Name]
1-[(1R,9S)-3,5,13-Trihydroxy-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-6-yl]-1-decanone [ACD/IUPAC Name]
1-[(1R,9S)-3,5,13-Trihydroxy-8,10-dioxatétracyclo[7.7.1.02,7.011,16]heptadéca-2,4,6,11,13,15-hexaén-6-yl]-1-décanone [French] [ACD/IUPAC Name]
1-Decanone, 1-[(6S,12R)-1,3,9-trihydroxy-6,12-methano-12H-dibenzo[d,g][1,3]dioxocin-4-yl]- [ACD/Index Name]
myristicyclin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 206.6±25.0 °C
Index of Refraction: 1.602
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 8.14
ACD/BCF (pH 5.5): 897167.88
ACD/KOC (pH 5.5): 632066.31
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 409858.72
ACD/KOC (pH 7.4): 288750.75
Polar Surface Area: 96 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 341.3±3.0 cm3

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