2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Carbonyl}Amino)Ethyl]Amino}-2-Oxoethyl)Imino]Diacetic Acid (Non-Preferred Name)

Molecule SVG Image

Properties Simple | Detailed

Formula C17H23N5O11++
IUPAC Name 2-[carboxymethyl-[2-[2-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]ethylamino]-2-oxo-ethyl]amino]acetic acid
Molecular Mass 473.391 g·mol−1
Heat of Formation -1950.2 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 509.83 Å 3
Surface Area 434.21 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey YIXIGZCQDCRABL-KNCOVGOOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N