(2R)-2-Amino-3-[[7-Methyl-2,4-Dioxo-10-[(2R,3R,4S)-2,3,4,5-Tetrahydroxypentyl]Benzo[G]Pteridine-1,5-Diium-9A-Id-8-Yl]Methylsulfanyl]Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C20H27N5O8S++ |
IUPAC Name | (2r)-2-amino-3-[[7-methyl-2,4-dioxo-10-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-1,5-diium-9a-id-8-yl]methylsulfanyl]propanoic acid |
Molecular Mass | 497.522 g·mol−1 |
Heat of Formation | -1277.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.20 ± 1.08 D |
Volume | 538.17 Å 3 |
Surface Area | 426.48 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | -2.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | SQWNFPKBFDWGEH-HPGNRBDVSA-P |
QR Code | Generate QR Code |
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Elements | H S C O N |