(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-{[(2R)-2-Ammonio-3-Sulfanylpropanoyl]Amino}-2-Deoxy-α-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C15H29N2O11S+ |
| IUPAC Name | (2r)-2-amino-n-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexoxy]tetrahydropyran-3-yl]-3-sulfanyl-propanamide |
| Molecular Mass | 445.463 g·mol−1 |
| Heat of Formation | -2141.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.56 ± 1.08 D |
| Volume | 485.25 Å 3 |
| Surface Area | 365.37 Å 2 |
| HOMO Energy | -9.37 ± 0.55 eV |
| LUMO Energy | -0.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZGXSCMBZZVXWGF-LIVBZIRGSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |