ChemSpider 2D Image | (3R,5S,6S,7S)-3-{(2S,3S,5S)-5-[(3S,4S,6R)-3,4-Diethyl-6-methyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]-3,5-dimethyltetrahydro-2-furanyl}-7-[(2R,3S,4R,5R,6S)-5-ethyl-4,6-dihydroxy-3,6-dimethyltetrahydro-2H-p yran-2-yl]-6-hydroxy-5-methyl-4-octanone | C34H60O8

(3R,5S,6S,7S)-3-{(2S,3S,5S)-5-[(3S,4S,6R)-3,4-Diethyl-6-methyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]-3,5-dimethyltetrahydro-2-furanyl}-7-[(2R,3S,4R,5R,6S)-5-ethyl-4,6-dihydroxy-3,6-dimethyltetrahydro-2H-p yran-2-yl]-6-hydroxy-5-methyl-4-octanone

  • Molecular FormulaC34H60O8
  • Average mass596.835 Da
  • Monoisotopic mass596.428833 Da
  • ChemSpider ID4590431

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(3R,5S,6S,7S)-3-{(2S,3S,5S)-5-[(3S,4S,6R)-3,4-Diethyl-6-methyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]-3,5-dimethyltetrahydro-2-furanyl}-7-[(2R,3S,4R,5R,6S)-5-ethyl-4,6-dihydroxy-3,6-dimethyltetrahydro-2H-p yran-2-yl]-6-hydroxy-5-methyl-4-octanon [German] [ACD/IUPAC Name]
(3R,5S,6S,7S)-3-{(2S,3S,5S)-5-[(3S,4S,6R)-3,4-Diethyl-6-methyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]-3,5-dimethyltetrahydro-2-furanyl}-7-[(2R,3S,4R,5R,6S)-5-ethyl-4,6-dihydroxy-3,6-dimethyltetrahydro-2H-p yran-2-yl]-6-hydroxy-5-methyl-4-octanone [ACD/IUPAC Name]
(3R,5S,6S,7S)-3-{(2S,3S,5S)-5-[(3S,4S,6R)-3,4-Diéthyl-6-méthyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]-3,5-diméthyltétrahydro-2-furanyl}-7-[(2R,3S,4R,5R,6S)-5-éthyl-4,6-dihydroxy-3,6-diméthyltétrahydro-2H-p yran-2-yl]-6-hydroxy-5-méthyl-4-octanone [French] [ACD/IUPAC Name]
88263-35-8 [RN]
Antibiotic X 14873G
Lysocellin, 3-de(carboxymethyl)-4-demethyl-17,21-dideoxy-17,21-epoxy-4-ethyl-5-hydroxy-3-methyl-, (5R)-
X 14873G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 199.5±25.0 °C
Index of Refraction: 1.501
Molar Refractivity: 162.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1112.61
ACD/KOC (pH 5.5): 5274.38
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1112.60
ACD/KOC (pH 7.4): 5274.36
Polar Surface Area: 115 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 551.8±3.0 cm3

Click to predict properties on the Chemicalize site


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