11-(3-Amino-3-Carboxypropanoyl)-1-Hydroxy-5-Oxo-5H-Pyrido[3,2-A]Phenoxazine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H13N3O8
IUPAC Name 11-[(3s)-3-amino-3-carboxy-propanoyl]-1,5-dioxo-2,4-dihydropyrido[3,2-a]phenoxazin-12-ium-2,3,4a,11,12b-pentaide-3-carboxylic acid
Molecular Mass 423.333 g·mol−1
Heat of Formation -908.3 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 437.72 Å 3
Surface Area 371.14 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -2.38 ± eV
Point Group Symmetry C1
InChIKey QLAHWTNCEYYDRR-QMMMGPOBSA-N
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