(R)-2-Hydroxy-4-Methylpentanoyl-Coa

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Formula C27H46N7O18P3S
IUPAC Name s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate
Molecular Mass 881.677 g·mol−1
Heat of Formation -4073.8 ± 16.7 kJ·mol−1
Dipole Moment 12.13 ± 1.08 D
Volume 918.81 Å 3
Surface Area 727.61 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey CFNPCSNXESBNGR-LYALRYAQSA-N
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