(2S,3S,4R,5R,6R)-5-Acetamido-4-Amino-6-{[{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}-3-Hydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C17H26N4O17P2
IUPAC Name (2s,3s,4r,5r,6r)-5-acetamido-4-amino-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 620.352 g·mol−1
Heat of Formation -3664.5 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 622.77 Å 3
Surface Area 490.15 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey RRAQYLXLCYIZBB-HHKCBAECSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N