5-O-({[(2S)-1-{[(1S)-1-Carboxylato-4-{[(1S)-1,3-Dicarboxylatopropyl]Amino}-4-Oxobutyl]Amino}-1-Oxo-2-Propanyl]Oxy}Phosphinato)-1-Deoxy-1-(8-Hydroxy-2,4-Dioxo-2H-Pyrimido[4,5-B]Quinolin-3-Id-10(4H)-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C29H18N5O18P+
IUPAC Name 5-o-({[(2s)-1-{[(1s)-1-carboxylato-4-{[(1s)-1,3-dicarboxylatopropyl]amino}-4-oxobutyl]amino}-1-oxo-2-propanyl]oxy}phosphinato)-1-deoxy-1-(8-hydroxy-2,4-dioxo-2h-pyrimido[4,5-b]quinolin-3-id-10(4h)-yl)-d-ribitol
Molecular Mass 755.450 g·mol−1
Heat of Formation -280.3 ± 16.7 kJ·mol−1
Dipole Moment 12.42 ± 1.08 D
Volume 732.2 Å 3
Surface Area 548.12 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -3.42 ± eV
Point Group Symmetry C1
InChIKey BEUZRXRCQLIWPE-NALJQGANSA-I
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