Pentasodium diethylenetriaminepentaacetate

Catalog Number	ACM140012-2
CAS	140-01-2
Structure
Synonyms	Pentasodium DTPA
IUPAC Name	Pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Molecular Weight	503.26
Molecular Formula	C14H18N3Na5O10
Canonical SMILES	C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI	InChI=1S/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;5*+1/p-5
InChI Key	LQPLDXQVILYOOL-UHFFFAOYSA-I
Melting Point	-40 °C
Complexity	454
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	503.0480652
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	0
Monoisotopic Mass	503.0480652
Physical State	Solution
Rotatable Bond Count	11
Topological Polar Surface Area	210 Ų

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Pentasodium diethylenetriaminepentaacetate (140-01-2)

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