(2S)-2-({(2S)-2-[(Hydroxy{[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}Phosphoryl)Amino]-4-Methylpentanoyl}Amino)-3-(1H-Indol-3-Yl)Propanoic Acid

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Properties Simple | Detailed

Formula C23H32N3O10P--
IUPAC Name carbon dioxide; n-[(1s)-1-[(e)-2-(2h-indol-1-ium-2-ylium-3-yl)ethylidenecarbamoyl]-3-methyl-butyl]-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-phosphonamidic acid
Molecular Mass 541.488 g·mol−1
Heat of Formation 1645.1 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 558.21 Å 3
Surface Area 473.2 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -2.24 ± eV
Point Group Symmetry C1
InChIKey ZPHBZEQOLSRPAK-HXPOIRHASA-N
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