ChemSpider 2D Image | 37,39,41,43,45,47,49-Heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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~]nona tetracontane-36,38,40,42,44,46,48-heptol | C56H98O35

37,39,41,43,45,47,49-Heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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]nona tetracontane-36,38,40,42,44,46,48-heptol

  • Molecular FormulaC56H98O35
  • Average mass1331.356 Da
  • Monoisotopic mass1330.588867 Da
  • ChemSpider ID108942

More details:

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

37,39,41,43,45,47,49-Heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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]nona tetracontan-36,38,40,42,44,46,48-heptol [German] [ACD/IUPAC Name]
37,39,41,43,45,47,49-Heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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]nona tetracontane-36,38,40,42,44,46,48-heptol [ACD/IUPAC Name]
37,39,41,43,45,47,49-Heptaméthoxy-5,10,15,20,25,30,35-heptakis(méthoxyméthyl)-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]nona tétracontane-36,38,40,42,44,46,48-heptol [French] [ACD/IUPAC Name]
128446-36-6 [RN]
37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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-36,38,40,42,44,46,48-heptol(non-preferred name)
Dimethyl-β-cyclodextrin
heptakis(2,6-O-dimethyl)β-cyclodextrin
Heptakis-2,6-di-O-methyl-β-cyclodextrin
β-Cyclodextrin, 2(sup A),2(sup B),2(sup C),2(sup D),2(sup E),2(sup F),2(sup G),6(sup A),6(sup B),6(sup C),6(sup D),6(sup E),6(sup F),6(sup G)-tetradeca-O-methyl-
β-Cyclodextrin, 2A,2B,2C,2D,2E,2F,2G,6A,6B,6C,6D,6E,6F,6G-tetradeca-O-methyl-
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1203.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 201.5±6.0 kJ/mol
Flash Point: 681.7±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 303.8±0.4 cm3
#H bond acceptors: 35
#H bond donors: 7
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.77
ACD/KOC (pH 5.5): 1498.37
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.76
ACD/KOC (pH 7.4): 1498.31
Polar Surface Area: 400 Å2
Polarizability: 120.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 949.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement