3-[(4Z,9Z,14Z)-3,13,17-Tris(2-Carboxyethyl)-2,7,18-Tris(Carboxymethyl)-1,2,5,7,12,12,15,17-Octamethyl-3,8,13,18,19,21-Hexahydrocorrin-8-Yl]Propanoic Acid

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Formula C45H60N4O14
IUPAC Name 3-[(1r,2s,3s,4z,7s,8s,9z,13r,14z,17r,18r,19r)-3,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,21-hexahydrocorrin-8-yl]propanoic acid
Molecular Mass 880.976 g·mol−1
Heat of Formation -2736.2 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 1041.15 Å 3
Surface Area 676.64 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey MYMATQFDUQLSCD-ZPZWDRINSA-N
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