4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl]Oxy}-5,6-Dihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}-α-D-Glucopyranose
Properties
Property | Value |
---|---|
Formula | C31H53NO23 |
IUPAC Name | (2s,3r,4s,5s,6r)-5-[[(1s,4r,5r,6s)-4-[(2s,3r,4r,5s,6r)-5-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-6-methyl-tetrahydropyran-2,3,4-triol |
Molecular Mass | 807.745 g·mol−1 |
Heat of Formation | -4341.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.36 ± 1.08 D |
Volume | 887.0 Å 3 |
Surface Area | 648.56 Å 2 |
HOMO Energy | -9.64 ± 0.55 eV |
LUMO Energy | 0.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | SPMGVWYYOZMEBD-NPPSNIQKSA-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 |