(1S)-1-[3-(3-Amino-3-Carboxypropyl)-1-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl]-1,4-Anhydro-D-Ribitol
Properties
Property | Value |
---|---|
Formula | C14H21N3O8 |
IUPAC Name | (2s)-2-amino-4-[5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-2,6-dioxo-pyrimidin-1-yl]butanoic acid |
Molecular Mass | 359.332 g·mol−1 |
Heat of Formation | -1421.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.26 ± 1.08 D |
Volume | 404.59 Å 3 |
Surface Area | 350.87 Å 2 |
HOMO Energy | -9.43 ± 0.55 eV |
LUMO Energy | -0.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | CTPQMQZKRWLMRA-LXUNUROVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |