ChemSpider 2D Image | (1S,5R,7R,9R,10S,13R,15S,16S)-7,10-Dihydroxy-6,6,9,16-tetramethyl-11-methylene-15-[(triisopropylsilyl)oxy]-5-vinyl-4,17-dioxabicyclo[11.3.1]heptadecan-3-one | C31H56O6Si

(1S,5R,7R,9R,10S,13R,15S,16S)-7,10-Dihydroxy-6,6,9,16-tetramethyl-11-methylene-15-[(triisopropylsilyl)oxy]-5-vinyl-4,17-dioxabicyclo[11.3.1]heptadecan-3-one

  • Molecular FormulaC31H56O6Si
  • Average mass552.858 Da
  • Monoisotopic mass552.384644 Da
  • ChemSpider ID9516818

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,5R,7R,9R,10S,13R,15S,16S)-7,10-Dihydroxy-6,6,9,16-tetramethyl-11-methylen-15-[(triisopropylsilyl)oxy]-5-vinyl-4,17-dioxabicyclo[11.3.1]heptadecan-3-on [German] [ACD/IUPAC Name]
(1S,5R,7R,9R,10S,13R,15S,16S)-7,10-Dihydroxy-6,6,9,16-tetramethyl-11-methylene-15-[(triisopropylsilyl)oxy]-5-vinyl-4,17-dioxabicyclo[11.3.1]heptadecan-3-one [ACD/IUPAC Name]
(1S,5R,7R,9R,10S,13R,15S,16S)-7,10-Dihydroxy-6,6,9,16-tétraméthyl-11-méthylène-15-[(triisopropylsilyl)oxy]-5-vinyl-4,17-dioxabicyclo[11.3.1]heptadécan-3-one [French] [ACD/IUPAC Name]
4,17-Dioxabicyclo[11.3.1]heptadecan-3-one, 5-ethenyl-7,10-dihydroxy-6,6,9,16-tetramethyl-11-methylene-15-[[tris(1-methylethyl)silyl]oxy]-, (1S,5R,7R,9R,10S,13R,15S,16S)- [ACD/Index Name]
(1S,5R,7R,9R,10S,13R,15S,16S)-5-ethenyl-7,10-dihydroxy-6,6,9,16-tetramethyl-11-methylidene-15-{[tris(propan-2-yl)silyl]oxy}-4,17-dioxabicyclo[11.3.1]heptadecan-3-one
366454-79-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.496
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42452.14
ACD/KOC (pH 5.5): 71488.10
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42452.14
ACD/KOC (pH 7.4): 71488.10
Polar Surface Area: 85 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 35.9±5.0 dyne/cm
Molar Volume: 540.0±5.0 cm3

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