200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 20706-80-3
20706-80-3 | D-Mannitol, hexakis(4-methylbenzenesulfonate) (9CI)
CAS No: 20706-80-3 Catalog No: AG002ITL MDL No:
Product Description
Catalog Number:
AG002ITL
Chemical Name:
D-Mannitol, hexakis(4-methylbenzenesulfonate) (9CI)
CAS Number:
20706-80-3
Molecular Formula:
C48H50O18S6
Molecular Weight:
1107.2898
IUPAC Name:
2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C48H50O18S6/c1-33-7-19-39(20-8-33)67(49,50)61-31-45(63-69(53,54)41-23-11-35(3)12-24-41)47(65-71(57,58)43-27-15-37(5)16-28-43)48(66-72(59,60)44-29-17-38(6)18-30-44)46(64-70(55,56)42-25-13-36(4)14-26-42)32-62-68(51,52)40-21-9-34(2)10-22-40/h7-30,45-48H,31-32H2,1-6H3
InChI Key:
LTWANKHDLPUTEW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC(C(C(OS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C)C(OS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C
NSC Number:
85623
Properties
Complexity:
2200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1106.132g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1107.27g/mol
Monoisotopic Mass:
1106.132g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
311A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.