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Search term: 30824495 (Found by CSID)
ChemSpider 2D Image | frenolicin F | C18H20O7

frenolicin F

  • Molecular FormulaC18H20O7
  • Average mass348.347 Da
  • Monoisotopic mass348.120911 Da
  • ChemSpider ID30824495

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(1R,2S,10R,11R,13S)-2,7-Dihydroxy-9-oxo-11-propyl-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]acetic acid [ACD/IUPAC Name]
[(1R,2S,10R,11R,13S)-2,7-Dihydroxy-9-oxo-11-propyl-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]essigsäure [German] [ACD/IUPAC Name]
4a,10a-Epoxy-1H-naphtho[2,3-c]pyran-3-acetic acid, 3,4,5,10-tetrahydro-5,9-dihydroxy-10-oxo-1-propyl-, (1R,3S,4aR,5S,10aR)- [ACD/Index Name]
Acide [(1R,2S,10R,11R,13S)-2,7-dihydroxy-9-oxo-11-propyl-12,15-dioxatétracyclo[8.4.1.01,10.03,8]pentadéca-3,5,7-trién-13-yl]acétique [French] [ACD/IUPAC Name]
frenolicin F

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

Density: 1.5±0.1 g/cm3
Boiling Point: 638.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 235.6±25.0 °C
Index of Refraction: 1.654
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 4.35
ACD/KOC (pH 5.5): 43.69
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 230.5±5.0 cm3

Click to predict properties on the Chemicalize site


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