FT-0619470 CAS:102088-39-1 chemical structure

4-SULFOCALIX[6]ARENE

Name: 4-SULFOCALIX[6]ARENE
Rating: 4.5 (11 reviews)

Catalog No: FT-0619470

CAS No: 102088-39-1

Molecular Formula: 1117.1
Formula Weight: C42H36O24S6
Inchl Key: BXOUPTJVBGEDIR-UHFFFAOYSA-N
Inchl: InChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	Hexahydroxycalix[6]Arenehexasulfonic Acid
Flash_Point:	N/A
Melting_Point:	246ºC (dec.)
FW:	1117.111
Density:	1.8±0.1 g/cm3
CAS:	102088-39-1
Bolling_Point:	N/A
MF:	C42H36O24S6

Molecular_Structure:	['1. Molar refractive index 24728 ', '2. Molar volume 6254 ', '3. Parachor （902K）19337 ', '4. Surface tension 914 ', '5. Dielectric constant N/A ', '6. Polarizability 9803 ', '7. Single isotope mass 1115992072 Da ', '8. Nominal mass 1116 Da ', '9. Average mass 11171108 Da']
Refractive_Index:	1.721
FW:	1117.111
Density:	1.8±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :12 ', '3. Hydrogen Bond Acceptor Count :24 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 498 ', '7. Heavy Atom Count :72 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :2060 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	-10.85
Melting_Point:	246ºC (dec.)
PSA:	497.88000
MF:	C42H36O24S6
More_Info:	['1 . Appearance White 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）224-225 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，3mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in Water ']
Exact_Mass:	1115.992065