(2S)-2-({(2S)-2-{[(2S,3S,4S)-2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridinyl)-3-Methylbutanoyl]Amino}-2-[5-(2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Acetyl}Amino)Pentanedioic Acid
Properties
Property | Value |
---|---|
Formula | C25H32N6O13 |
IUPAC Name | (2s)-2-[[(2s)-2-[[(2s,3s,4s)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[(2r,3r,4s,5r)-5-(2,4-dioxopyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetyl]amino]pentanedioic acid |
Molecular Mass | 624.554 g·mol−1 |
Heat of Formation | -2281.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.81 ± 1.08 D |
Volume | 698.55 Å 3 |
Surface Area | 539.35 Å 2 |
HOMO Energy | -9.57 ± 0.55 eV |
LUMO Energy | -0.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZWCOQJINVKEJCM-MUFUKQPDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |