ChemSpider 2D Image | (5R)-2,4-Dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,9R,10S,11S,12R,13R,14Z,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-penta
nyl}-4-methyl-5-[(1E)-1-propen-1-yl]-alpha-D-threo-pentopyranose | C39H64O10

(5R)-2,4-Dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,9R,10S,11S,12R,13R,14Z,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-penta nyl}-4-methyl-5-[(1E)-1-propen-1-yl]-α-D-threo-pentopyranose

  • Molecular FormulaC39H64O10
  • Average mass692.919 Da
  • Monoisotopic mass692.449951 Da
  • ChemSpider ID57488713
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(5R)-2,4-Dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,9R,10S,11S,12R,13R,14Z,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-penta ;nyl}-4-methyl-5-[(1E)-1-propen-1-yl]-α-D-threo-pentopyranose [ACD/IUPAC Name]
(5R)-2,4-Didesoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,9R,10S,11S,12R,13R,14Z,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-pent ;anyl}-4-methyl-5-[(1E)-1-propen-1-yl]-α-D-threo-pentopyranose [German] [ACD/IUPAC Name]
(5R)-2,4-Didésoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,9R,10S,11S,12R,13R,14Z,16Z)-11-éthyl-10,12-dihydroxy-3,17-diméthoxy-7,9,13,15-tétraméthyl-18-oxooxacyclooctadéca-4,6,14,16-tétraén-2-yl]-3-hydroxy-2-pent ;anyl}-4-méthyl-5-[(1E)-1-propén-1-yl]-α-D-thréo-pentopyranose [French] [ACD/IUPAC Name]
α-D-threo-Pentopyranose, 2,4-dideoxy-1-C-[(1S,2R,3S)-3-[(2R,3S,4E,9R,10S,11S,12R,13R,14Z,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen -2-yl]-2-hydroxy-1-methylbutyl]-4-methyl-5-C-[(1E)-1-propen-1-yl]-, (5R)- [ACD/Index Name]
(3E,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-DIHYDROXY-5-METHYL-6-[(1E)-PROP-1-EN-1-YL]OXAN-2-YL]-3-HYDROXYPENTAN-2-YL]-9-ETHYL-8,10-DIHYDROXY-3,17-DIMETHOXY-5,7,11,13-TETRAMETHYL-1-OXACYCLOOCTADECA-3,5,13,15-TETRAEN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 828.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 243.7±27.8 °C
Index of Refraction: 1.544
Molar Refractivity: 191.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1146.35
ACD/KOC (pH 5.5): 5388.40
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1146.35
ACD/KOC (pH 7.4): 5388.37
Polar Surface Area: 155 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 607.5±5.0 cm3

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