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13868-69-4 | Phosphonic acid, [(tetradecylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS No: 13868-69-4 Catalog No: AG0018ZW MDL No:
Product Description
Catalog Number:
AG0018ZW
Chemical Name:
Phosphonic acid, [(tetradecylimino)bis(methylene)]bis-, trisodium salt (9CI)
CAS Number:
13868-69-4
Molecular Formula:
C16H34NNa3O6P2
Molecular Weight:
467.3611
IUPAC Name:
trisodium;hydroxy-[[phosphonatomethyl(tetradecyl)amino]methyl]phosphinate
InChI:
InChI=1S/C16H37NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-3
InChI Key:
DBKYVFFVXJMOFC-UHFFFAOYSA-K
SMILES:
CCCCCCCCCCCCCCN(CP(=O)(O)[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+]
EC Number:
237-615-0
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.155g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.366g/mol
Monoisotopic Mass:
467.155g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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