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Search term: FYJKABWVRDPHNZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Methyl-3-[2-methyl-2-({[2-methyl-3-{[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propanoyl]oxy}methyl)-3-oxo-3-{[2-(2-propyn-1-yl)-4-pent
yn-1-yl]oxy}propoxy]-3-oxo-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate | C55H82O22

2-Methyl-3-[2-methyl-2-({[2-methyl-3-{[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propanoyl]oxy}methyl)-3-oxo-3-{[2-(2-propyn-1-yl)-4-pent yn-1-yl]oxy}propoxy]-3-oxo-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate

  • Molecular FormulaC55H82O22
  • Average mass1095.226 Da
  • Monoisotopic mass1094.529785 Da
  • ChemSpider ID77418327

More details:






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

2,2,5-Triméthyl-1,3-dioxane-5-carboxylate de 2-méthyl-3-[2-méthyl-2-({[2-méthyl-3-{[(2,2,5-triméthyl-1,3-dioxan-5-yl)carbonyl]oxy}-2-({[(2,2,5-triméthyl-1,3-dioxan-5-yl)carbonyl]oxy}méthyl)propanoyl]o xy}méthyl)-3-oxo-3-{[2-(2-propyn-1-yl)-4-pentyn-1-yl]oxy}propoxy]-3-oxo-2-({[(2,2,5-triméthyl-1,3-dioxan-5-yl)carbonyl]oxy}méthyl)propyle [French] [ACD/IUPAC Name]
2-Methyl-3-[2-methyl-2-({[2-methyl-3-{[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propanoyl]oxy}methyl)-3-oxo-3-{[2-(2-propin-1-yl)-4-pent in-1-yl]oxy}propoxy]-3-oxo-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propyl-2,2,5-trimethyl-1,3-dioxan-5-carboxylat [German] [ACD/IUPAC Name]
2-Methyl-3-[2-methyl-2-({[2-methyl-3-{[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propanoyl]oxy}methyl)-3-oxo-3-{[2-(2-propyn-1-yl)-4-pent yn-1-yl]oxy}propoxy]-3-oxo-2-({[(2,2,5-trimethyl-1,3-dioxan-5-yl)carbonyl]oxy}methyl)propyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 838.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 310.2±34.3 °C
Index of Refraction: 1.485
Molar Refractivity: 268.9±0.3 cm3
#H bond acceptors: 22
#H bond donors: 0
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 622400.25
ACD/KOC (pH 5.5): 488613.88
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 622400.25
ACD/KOC (pH 7.4): 488613.88
Polar Surface Area: 258 Å2
Polarizability: 106.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 938.5±3.0 cm3

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