Compound C17H29GdN4O7

2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)

CAS: 120066-54-8

Molecular Formula	`C17H29GdN4O7`
Molecular Weight	558.7 g/mol
Topological Polar Surface Area	154.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	559.12775
Heavy Atoms	29
Complexity	471.0

Chemical Identifiers

CAS Number	120066-54-8
SMILES	`CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]`
InChIKey	`DPNNNPAKRZOSMO-UHFFFAOYSA-K`

📖 Product Overview

Compound C17H29GdN4O7 (CAS: 120066-54-8) is a chemical compound with molecular formula C17H29GdN4O7 and molecular weight 558.7 g/mol. Its IUPAC systematic name is 2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+). Topological Polar Surface Area 154.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 11 Rotatable Bonds 5 Exact Mass 559.12775 Heavy Atoms 29 Complexity 471.0 InChI Key: DPNNNPAKRZOSMO-UHFFFAOYSA-K. SMILES: CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3].

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