200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 89777-41-3
89777-41-3 | 2,5,9,12-Tetraazaspiro[6.6]tridecane, 2,5,9,12-tetrakis(phenylsulfonyl)-
CAS No: 89777-41-3 Catalog No: AG00400N MDL No:
Product Description
Catalog Number:
AG00400N
Chemical Name:
2,5,9,12-Tetraazaspiro[6.6]tridecane, 2,5,9,12-tetrakis(phenylsulfonyl)-
CAS Number:
89777-41-3
Molecular Formula:
C33H36N4O8S4
Molecular Weight:
744.9209
IUPAC Name:
2,5,9,12-tetrakis(benzenesulfonyl)-2,5,9,12-tetrazaspiro[6.6]tridecane
InChI:
InChI=1S/C33H36N4O8S4/c38-46(39,29-13-5-1-6-14-29)34-21-22-35(47(40,41)30-15-7-2-8-16-30)26-33(25-34)27-36(48(42,43)31-17-9-3-10-18-31)23-24-37(28-33)49(44,45)32-19-11-4-12-20-32/h1-20H,21-28H2
InChI Key:
LYYMTPJNCKIAIP-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)N1CCN(CC2(C1)CN(CCN(C2)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
744.142g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
744.911g/mol
Monoisotopic Mass:
744.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.