4-[2-(4-Benzyl-1-Piperidinyl)-1-Hydroxypropyl]Phenyl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C27H35NO8 |
IUPAC Name | (2s,3s,4s,5r,6s)-6-[4-[(1r,2s)-2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 501.569 g·mol−1 |
Heat of Formation | -1277.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.88 ± 1.08 D |
Volume | 591.46 Å 3 |
Surface Area | 500.2 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | GXHMRNLUBONADM-HGRSNUCDSA-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 |