H3[(2R)-Hp-Do3A]

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Properties Simple | Detailed

Formula C17H32N4O7
IUPAC Name 2-[(1s,7r)-4,7-bis(carboxymethyl)-10-[(2r)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Mass 404.459 g·mol−1
Heat of Formation -1300.3 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 482.42 Å 3
Surface Area 366.0 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid
  • 2-[4,7-bis(carboxymethyl)-10-[(2r)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  • 2-[4,7-bis(carboxymethyl)-10-[(2r)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid
  • do3
InChIKey IQUHNCOJRJBMSU-CQSZACIVSA-N
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