Iobitridol

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Properties Simple | Detailed

Formula C20H28I3N3O9
IUPAC Name n3-[(2r)-2,3-dihydroxypropyl]-n1-[(2s)-2,3-dihydroxypropyl]-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-n1,n3-dimethyl-benzene-1,3-dicarboxamide
Molecular Mass 835.164 g·mol−1
Heat of Formation -1421.1 ± 16.7 kJ·mol−1
Dipole Moment 12.22 ± 1.08 D
Volume 649.4 Å 3
Surface Area 490.76 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
InChIKey YLPBXIKWXNRACS-PHIMTYICSA-N
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