ChemSpider 2D Image | (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,4,7,9,1
2,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | C72H144O30Si6

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,4,7,9,1 2,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

  • Molecular FormulaC72H144O30Si6
  • Average mass1658.409 Da
  • Monoisotopic mass1656.835815 Da
  • ChemSpider ID22906192
  • defined stereocentres - 30 of 30 defined stereocentres


More details:






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

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,4,7,9,1 ;2,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-31,32,33,34,35,36,37,38,39,40,41,42-dodecol [German] [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,4,7,9,1 ;2,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis({[diméthyl(2-méthyl-2-propanyl)silyl]oxy}méthyl)-2,4,7,9,1 ;2,14,17,19,22,24,27,29-dodécaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotétracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodécol [French] [ACD/IUPAC Name]
118646-79-0 [RN]
MFCD03452843 [MDL number]
6-TERT-BUTYLDIMETHYLSILYL-A-CYCLODEXTRIN
Hexakis (6-O-tertbutyl-dimethylsilyl)-α-cyclodextrin
Hexakis(6-O-tert-butyldimethylsilyl)cyclomaltohexaose
Hexakis(6-O-tert-butyldimethylsilyl)-α-cyclodextrin
HEXAKIS(6-O-TERTBUTYL-DIMETHYLSILYL)-α-CYCLODEXTRIN
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 1239.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 208.2±6.0 kJ/mol
Flash Point: 703.5±32.9 °C
Index of Refraction: 1.490
Molar Refractivity: 422.5±0.3 cm3
#H bond acceptors: 30
#H bond donors: 12
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 4
ACD/LogP: 13.65
ACD/LogD (pH 5.5): 9.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6104596.00
ACD/LogD (pH 7.4): 9.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6104556.00
Polar Surface Area: 409 Å2
Polarizability: 167.5±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 1461.0±3.0 cm3

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