ChemSpider 2D Image | 1-[(1R,9S)-3,5,13-Trihydroxy-8,10-dioxatetracyclo[7.7.1.0~2,7~.0~11,16~]heptadeca-2,4,6,11,13,15-hexaen-4-yl]-1-decanone | C25H30O6

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-4-yl]-1-decanone

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID34550445

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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-4-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-4-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-4-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-2-yl]- [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: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 185.2±23.6 °C
Index of Refraction: 1.602
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 641484.44
ACD/KOC (pH 5.5): 495310.06
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 201041.00
ACD/KOC (pH 7.4): 155230.00
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

Click to predict properties on the Chemicalize site


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