ChemSpider 2D Image | (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,46S,47R,49R)-5,10,15,20,25,30,35-Heptakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}m ethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecayl tetr adecaacetate (non-preferred name) | C112H196O49Si7

(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,46S,47R,49R)-5,10,15,20,25,30,35-Heptakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}m ethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecayl tetr adecaacetate (non-preferred name)

  • Molecular FormulaC112H196O49Si7
  • Average mass2523.324 Da
  • Monoisotopic mass2521.123047 Da
  • ChemSpider ID57550001

  • defined stereocentres - 33 of 35 defined stereocentres

More details:

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

(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,46S,47R,49R)-5,10,15,20,25,30,35-Heptakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}m ;ethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecayl-tetra decaacetat (non-preferred name) [German] [ACD/IUPAC Name]
(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,46S,47R,49R)-5,10,15,20,25,30,35-Heptakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}m ;ethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecayl tetr adecaacetate (non-preferred name) [ACD/IUPAC Name]
Tetradecaacétate de (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,46S,47R,49R)-5,10,15,20,25,30,35-heptakis({[diméthyl(2-méthyl-2- ;propanyl)silyl]oxy}méthyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tétradécaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatétracontane-36,37,38,39,40,41,42,43,44,45,46,47,48
 ,49-tétradécayle (non-preferred name) [French] [ACD/IUPAC Name]
123172-94-1 [RN]
PUBCHEM_71317195

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1425.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 218.7±3.0 kJ/mol
Flash Point: 677.1±29.8 °C
Index of Refraction: 1.510
Molar Refractivity: 627.5±0.4 cm3
#H bond acceptors: 49
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 3
ACD/LogP: 31.47
ACD/LogD (pH 5.5): 26.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 26.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 562 Å2
Polarizability: 248.7±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 2097.8±5.0 cm3

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