Synonyms
MFCD00150166;64438-54-6;Gadolinium(III) 2,4-pentanedionate hydrate, REacton(R);tris[(Z)-1-methyl-3-oxo-but-1-enoxy]gadolinium hydrate;
IUPAC Name
gadolinium;(Z)-4-hydroxypent-3-en-2-one;hydrate;
Molecular Weight
476g/mol
Molecular Formula
Gd(C5H7O2)3 · xH₂O
Canonical SMILES
CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Gd];
InChI
InChI=1S/3C5H8O2.Gd.H₂O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/b3*4-3-;;;
InChI Key
IRYSUIYKCHCKMA-KJVLTGTBSA-N;
Melting Point
143°C
Appearance
Solid, powder
Complexity
380
Covalently-Bonded Unit Count
5
Defined Bond Stereocenter Count
3
Exact Mass
476.092g/mol
H-Bond Acceptor
7
H-Bond Donor
4
Heavy Atom Count
23
Monoisotopic Mass
476.092g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
113A^2
