(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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N