ChemSpider 2D Image | (1S,2R,3S,5R,8R,9S,10R,11R,12R)-8,11,12-Trihydroxy-3,10-dimethyl-3-[(2S)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-6,13-dioxatetracyclo[7.5.0.0~1,5~.0~2,12~]tetradecan-7-one | C19H24O8

(1S,2R,3S,5R,8R,9S,10R,11R,12R)-8,11,12-Trihydroxy-3,10-dimethyl-3-[(2S)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-7-one

  • Molecular FormulaC19H24O8
  • Average mass380.389 Da
  • Monoisotopic mass380.147125 Da
  • ChemSpider ID24699717
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S,2R,3S,5R,8R,9S,10R,11R,12R)-8,11,12-Trihydroxy-3,10-dimethyl-3-[(2S)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-7-on [German] [ACD/IUPAC Name]
(1S,2R,3S,5R,8R,9S,10R,11R,12R)-8,11,12-Trihydroxy-3,10-dimethyl-3-[(2S)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-7-one [ACD/IUPAC Name]
(1S,2R,3S,5R,8R,9S,10R,11R,12R)-8,11,12-Trihydroxy-3,10-diméthyl-3-[(2S)-3-méthyl-5-oxo-2,5-dihydro-2-furanyl]-6,13-dioxatétracyclo[7.5.0.01,5.02,12]tétradécan-7-one [French] [ACD/IUPAC Name]
6,8b-(Epoxymethano)-8bH-indeno[1,7-bc]pyran-2(3H)-one, 7-[(2S)-2,5-dihydro-3-methyl-5-oxo-2-furanyl]octahydro-3,5,6-trihydroxy-4,7-dimethyl-, (3R,3aS,4R,5R,6R,6aR,7S,8aR,8bS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 234.1±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.62
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.62
Polar Surface Area: 123 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 250.2±5.0 cm3

Click to predict properties on the Chemicalize site






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