ChemSpider 2D Image | (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(1S,2R,3S)-3-[(2S,4S,5S,6S)-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-2-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione | C54H88O18

(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(1S,2R,3S)-3-[(2S,4S,5S,6S)-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-2-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

  • Molecular FormulaC54H88O18
  • Average mass1025.266 Da
  • Monoisotopic mass1024.597046 Da
  • ChemSpider ID8232437

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3E,5E,7S,8S,11E,13E,15S,16S)-8-{(2R,3S,4S)-4-[(2R,4R,5R,6R)-4-{[(2S,4S,5S,6S)-4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-penta nyl}-16-{(2S,3R,4S)-4-[(2S,4S,5S,6S)-4-{[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5-ethyl-2-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-hydroxy-2-pentanyl}-7,15-dimethyl-1,9-d ioxacyclohexadeca-3,5,11,13-tetraen-2,10-dio [German] [ACD/IUPAC Name]
(3E,5E,7S,8S,11E,13E,15S,16S)-8-{(2R,3S,4S)-4-[(2R,4R,5R,6R)-4-{[(2S,4S,5S,6S)-4,5-Dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-éthyl-2-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-3-hydroxy-2-penta nyl}-16-{(2S,3R,4S)-4-[(2S,4S,5S,6S)-4-{[(2S,4R,5R,6R)-4,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5-éthyl-2-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-3-hydroxy-2-pentanyl}-7,15-diméthyl-1,9-d ioxacyclohexadéca-3,5,11,13-tétraène-2,10-di [French] [ACD/IUPAC 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: 1080.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.3±6.0 kJ/mol
Flash Point: 295.8±27.8 °C
Index of Refraction: 1.569
Molar Refractivity: 267.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.08
ACD/KOC (pH 5.5): 479.84
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.07
ACD/KOC (pH 7.4): 479.83
Polar Surface Area: 270 Å2
Polarizability: 106.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 816.2±5.0 cm3

Click to predict properties on the Chemicalize site


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