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Home > Fluorides > 101896-21-3
101896-21-3 | 4,6-Dioxa-3,7-diaza-5-phosphanonane-1,9-diol, 3,7-bis(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-, 5-oxide (9CI)
CAS No: 101896-21-3 Catalog No: AG0005V8 MDL No:
Product Description
Catalog Number:
AG0005V8
Chemical Name:
4,6-Dioxa-3,7-diaza-5-phosphanonane-1,9-diol, 3,7-bis(2-hydroxyethyl)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)oxy]-, 5-oxide (9CI)
CAS Number:
101896-21-3
Molecular Formula:
C19H24F19N2O8P
Molecular Weight:
800.3459
IUPAC Name:
bis[bis(2-hydroxyethyl)amino] 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl phosphate
InChI:
InChI=1S/C19H24F19N2O8P/c20-11(21,1-10-46-49(45,47-39(2-6-41)3-7-42)48-40(4-8-43)5-9-44)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h41-44H,1-10H2
InChI Key:
UQHBROJZQLWASU-UHFFFAOYSA-N
SMILES:
OCCN(OP(=O)(ON(CCO)CCO)OCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
EC Number:
309-980-7
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
800.097g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
29
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
800.35g/mol
Monoisotopic Mass:
800.097g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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