ChemSpider 2D Image | (−)-Littoralisone | C25H28O11

(−)-Littoralisone

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID8566861

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(−)-Littoralisone
(1S,3S,5R,6S,7S,8R,11R,12S,13S,16S,18S,19R,21R,22S)-6,7-Dihydroxy-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-18-methyl-2,4,9,15,20-pentaoxahexacyclo[9.8.2.113,16.03,8.013,21.019,22]docosan-10,14-dion [German] [ACD/IUPAC Name]
(1S,3S,5R,6S,7S,8R,11R,12S,13S,16S,18S,19R,21R,22S)-6,7-Dihydroxy-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-18-methyl-2,4,9,15,20-pentaoxahexacyclo[9.8.2.113,16.03,8.013,21.019,22]docosane-10,14-dione [ACD/IUPAC Name]
(1S,3S,5R,6S,7S,8R,11R,12S,13S,16S,18S,19R,21R,22S)-6,7-Dihydroxy-5-(hydroxyméthyl)-12-(4-hydroxyphényl)-18-méthyl-2,4,9,15,20-pentaoxahexacyclo[9.8.2.113,16.03,8.013,21.019,22]docosane-10,14-dione [French] [ACD/IUPAC Name]
7H-5,14-Epoxy-4a,6-methano-4H,9H-3,8,12,13-tetraoxabenzo[6,7]cycloundeca[1,2,3-cd]pentalene-4,7-dione, dodecahydro-9,10-dihydroxy-11-(hydroxymethyl)-16-(4-hydroxyphenyl)-1-methyl-, (1S,2aS,4aS,5R,6R,8 aR,9S,10S,11R,12aS,14S,14aR,14bS,16S)- [ACD/Index Name]
Littoralisone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 849.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 293.3±27.8 °C
Index of Refraction: 1.685
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 122.85
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.80
ACD/KOC (pH 7.4): 122.33
Polar Surface Area: 161 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 308.4±5.0 cm3

Click to predict properties on the Chemicalize site


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