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85099-24-7 | 4,7,10,13,16-Pentaazanonadecane-2,18-diol,1,19-dichloro-7,10,13,16-tetrakis(3-chloro-2-hydroxypropyl)- (9CI)
CAS No: 85099-24-7 Catalog No: AG004XK4 MDL No:
Product Description
Catalog Number:
AG004XK4
Chemical Name:
4,7,10,13,16-Pentaazanonadecane-2,18-diol,1,19-dichloro-7,10,13,16-tetrakis(3-chloro-2-hydroxypropyl)- (9CI)
CAS Number:
85099-24-7
Molecular Formula:
C26H53Cl6N5O6
Molecular Weight:
744.4469
IUPAC Name:
1-[2-[2-[2-[2-[bis(3-chloro-2-hydroxypropyl)amino]ethyl-(3-chloro-2-hydroxypropyl)amino]ethyl-(3-chloro-2-hydroxypropyl)amino]ethyl-(3-chloro-2-hydroxypropyl)amino]ethylamino]-3-chloropropan-2-ol
InChI:
InChI=1S/C26H53Cl6N5O6/c27-9-21(38)15-33-1-2-34(16-22(39)10-28)3-4-35(17-23(40)11-29)5-6-36(18-24(41)12-30)7-8-37(19-25(42)13-31)20-26(43)14-32/h21-26,33,38-43H,1-20H2
InChI Key:
HJWVJBQBDAWYPY-UHFFFAOYSA-N
SMILES:
ClCC(CNCCN(CC(CCl)O)CCN(CC(CCl)O)CCN(CC(CCl)O)CCN(CC(CCl)O)CC(CCl)O)O
EC Number:
285-479-6
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
743.21g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
744.439g/mol
Monoisotopic Mass:
741.213g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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