Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]-

IUPAC Name: 2-[Bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(3+)
Synonyms of Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]- (CAS NO.131410-48-5): Gadodiamide [USP] ; DV 7572 ; Gadodiamide ; Gadolinium-DTPA-BMA ; Gd DTPA-BMA ; HSDB 7547 ; Omniscan
CAS NO: 131410-48-5
Molecular Formula: C₁₆H₂₆GdN₅O₈
Molecular Weight: 573.6563
Molecular Structure:

H bond acceptors: 13
H bond donors: 5
Freely Rotating Bonds: 16
Polar Surface Area: 162.24 Å²
Flash Point: 419 °C
Enthalpy of Vaporization: 121.79 kJ/mol
Boiling Point: 769.1 °C at 760 mmHg
Vapour Pressure of Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]- (CAS NO.131410-48-5): 6.54E-26 mmHg at 25°C 
SMILES: [Gd+3].[O-]C(=O)CN(CC(=O)NC)CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O 
InChI: InChI=1/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3
InChIKey: HZHFFEYYPYZMNU-DFZHHIFOAX
Std. InChI: InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3 
Std. InChIKey: HZHFFEYYPYZMNU-UHFFFAOYSA-K