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191098-44-9 | Phosphinic acid, [nitrilotris(2,1-ethanediyliminomethylene)]tris[phenyl- (9CI)
CAS No: 191098-44-9 Catalog No: AG002F17 MDL No:
Product Description
Catalog Number:
AG002F17
Chemical Name:
Phosphinic acid, [nitrilotris(2,1-ethanediyliminomethylene)]tris[phenyl- (9CI)
CAS Number:
191098-44-9
Molecular Formula:
C27H39N4O6P3
Molecular Weight:
608.5430
IUPAC Name:
[2-[bis[2-[[hydroxy(phenyl)phosphoryl]methylamino]ethyl]amino]ethylamino]methyl-phenylphosphinic acid
InChI:
InChI=1S/C27H39N4O6P3/c32-38(33,25-10-4-1-5-11-25)22-28-16-19-31(20-17-29-23-39(34,35)26-12-6-2-7-13-26)21-18-30-24-40(36,37)27-14-8-3-9-15-27/h1-15,28-30H,16-24H2,(H,32,33)(H,34,35)(H,36,37)
InChI Key:
WUNZPGOVHYUJKM-UHFFFAOYSA-N
SMILES:
OP(=O)(c1ccccc1)CNCCN(CCNCP(=O)(c1ccccc1)O)CCNCP(=O)(c1ccccc1)O
Properties
Complexity:
754
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.208g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
608.552g/mol
Monoisotopic Mass:
608.208g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9
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