[Methyl (3S,4S,13R,14R,21R)-9-Acetyl-14-Ethyl-4,8,13,18-Tetramethyl-20-Oxo-3-(3-Oxo-3-{[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-Hexadecen-1-Yl]Oxy}Propyl)-13,14-Dihydro-21-Phorbinecarboxylatato(2-)-Kappa~2~N,N']Magnesium

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Formula C55H74MgN4O6
IUPAC Name magnesium (3s,4s,13r,14r,21r)-9-acetyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2e,7r,11r)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-23,25-didehydro-13,14-dihydrophorbine-23,25-diide
Molecular Mass 911.504 g·mol−1
Heat of Formation 5825.9 ± 16.7 kJ·mol−1
Dipole Moment 34.40 ± 1.08 D
Volume 962.0 Å 3
Surface Area 781.64 Å 2
HOMO Energy -6.04 ± 0.55 eV
LUMO Energy -3.37 ± eV
Point Group Symmetry C1
Synonyms
  • bacterio-chlorophyll a
  • bacteriochlorophyll from rhodopseudomonas sphaeroides
InChIKey DSJXIQQMORJERS-AGGZHOMASA-M
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Elements H Mg C O N