ChemSpider 2D Image | {(2R,3R,4E,11S,12S,13S,14E)-12-[(4,6-Dideoxy-3-O-methyl-beta-D-xylo-hexopyranosyl)oxy]-2,9,11,13-tetramethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl}methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranos ide | C35H58O12

{(2R,3R,4E,11S,12S,13S,14E)-12-[(4,6-Dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-2,9,11,13-tetramethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl}methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranos ide

  • Molecular FormulaC35H58O12
  • Average mass670.828 Da
  • Monoisotopic mass670.392822 Da
  • ChemSpider ID8185254

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 15 defined stereocentres

More details:

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

{(2R,3R,4E,11S,12S,13S,14E)-12-[(4,6-Dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-2,9,11,13-tetramethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl}methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranos ide [ACD/IUPAC Name]
{(2R,3R,4E,11S,12S,13S,14E)-12-[(4,6-Didesoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-2,9,11,13-tetramethyl-8,16-dioxooxacyclohexadeca-4,14-dien-3-yl}methyl-6-desoxy-2,3-di-O-methyl-β-D-allopyran osid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de {(2R,3R,4E,11S,12S,13S,14E)-12-[(4,6-didésoxy-3-O-méthyl-β-D-xylo-hexopyranosyl)oxy]-2,9,11,13-tétraméthyl-8,16-dioxooxacyclohexadéca-4,14-dién-3-y l}méthyle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,13-diene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-6-[(4,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-5,7,9,16-tetramethyl-, (3E,5S,6S,7S,13E ,15R,16R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 232.2±26.4 °C
Index of Refraction: 1.520
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.73
ACD/KOC (pH 5.5): 2008.27
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.73
ACD/KOC (pH 7.4): 2008.26
Polar Surface Area: 148 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 574.7±5.0 cm3

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