1-[4-({(1R)-1-[(6S,7S)-2-Amino-7-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl]Ethyl}Amino)Phenyl]-1-Deoxy-5-O-(5-O-{[(1S)-1,3-Dicarboxypropoxy](Hydroxy)Phosphoryl}-α-D-Ribofuranosyl)-D-Ribitol

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Formula C30H46N6O16P+
IUPAC Name (2r)-2-[[(2r,3s,4r,5s)-5-[(2r,3r,4s)-5-[4-[[(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydropteridin-1-ium-4a-ylium-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
Molecular Mass 777.691 g·mol−1
Heat of Formation -3114.9 ± 16.7 kJ·mol−1
Dipole Moment 9.11 ± 1.08 D
Volume 861.56 Å 3
Surface Area 684.63 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey SCBIBGUJSMHIAI-FQVOATFZSA-N
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