(2S)-{[(2S,4R)-2-Amino-5-(Carbamoyloxy)-4-Hydroxypentanoyl]Amino}[(3S,4R,5R)-5-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H22FN5O11++
IUPAC Name (2s)-2-[[(2s,4r)-2-amino-5-carbamoyloxy-4-hydroxy-pentanoyl]amino]-2-[(2s,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Molecular Mass 479.371 g·mol−1
Heat of Formation -2138.9 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 511.21 Å 3
Surface Area 389.08 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey KYULUFZXTXHJAF-AXJPDJNMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F