[({1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl}Methyl)Amino]Acetic Acid
Properties
Property | Value |
---|---|
Formula | C12H17N3O8 |
IUPAC Name | 2-[[1-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-1-ium-5-id-5-yl]methylamino]acetic acid |
Molecular Mass | 331.279 g·mol−1 |
Heat of Formation | -1407.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.62 ± 1.08 D |
Volume | 361.15 Å 3 |
Surface Area | 320.66 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | -0.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | VSCNRXVDHRNJOA-WGNDUZGJSA-P |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |