Amino{4-[(2-O-Hexopyranosylhexopyranosyl)Oxy]Phenyl}Acetic Acid
Properties
Property | Value |
---|---|
Formula | C20H29NO13 |
IUPAC Name | (2s)-2-amino-2-[4-[(2r,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]acetic acid |
Molecular Mass | 491.443 g·mol−1 |
Heat of Formation | -2311.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.62 ± 1.08 D |
Volume | 541.84 Å 3 |
Surface Area | 437.96 Å 2 |
HOMO Energy | -9.47 ± 0.55 eV |
LUMO Energy | -0.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | PHPOPZGUOBMSPZ-QHJSCRBTSA-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 |