1-O-[Methyl(Phenyl)Amino]-D-Glucopyranuronic Acid
Properties
Property | Value |
---|---|
Formula | C13H17NO7 |
IUPAC Name | (2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(n-methylanilino)oxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 299.277 g·mol−1 |
Heat of Formation | -1085.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.96 ± 1.08 D |
Volume | 328.38 Å 3 |
Surface Area | 284.41 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | -0.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | VACCKVAFFPKLAN-CFDXXZMTSA-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 |