26,28-Dihydroxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl bis(4-methylbenzenesulfon ate)

Molecular FormulaC₅₈H₆₈O₈S₂
Average mass957.286 Da
Monoisotopic mass956.435547 Da
ChemSpider ID21122439

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Names and Synonyms

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

26,28-Dihydroxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25,27-diyl-bis(4-methylbenzolsulfonat ) [German] [ACD/IUPAC Name]

26,28-Dihydroxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl bis(4-methylbenzenesulfon ate) [ACD/IUPAC Name]

Bis(4-méthylbenzènesulfonate) de 26,28-dihydroxy-5,11,17,23-tétrakis(2-méthyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-25, 
27-diyle [French] [ACD/IUPAC Name]

Pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-, 25,27-bis(4-methylbenzenesulfon ate) [ACD/Index Name]

Predicted - ACD/Labs
Predicted - ChemAxon

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

Density:	1.2±0.1 g/cm³
Boiling Point:	912.7±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	137.2±3.0 kJ/mol
Flash Point:	505.8±34.3 °C
Index of Refraction:	1.587
Molar Refractivity:	274.3±0.4 cm³
#H bond acceptors:	8
#H bond donors:	2
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	2

ACD/LogP:	16.20
ACD/LogD (pH 5.5):	14.98
ACD/BCF (pH 5.5):	1000000.00
ACD/KOC (pH 5.5):	10000000.00
ACD/LogD (pH 7.4):	14.98
ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 7.4):	10000000.00
Polar Surface Area:	144 Å²
Polarizability:	108.7±0.5 10^-24cm³
Surface Tension:	45.6±3.0 dyne/cm
Molar Volume:	815.6±3.0 cm³

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26,28-Dihydroxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl bis(4-methylbenzenesulfon ate)

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26,28-Dihydroxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl bis(4-methylbenzenesulfon ate)

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26,28-Dihydroxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diyl bis(4-methylbenzenesulfon ate)