3-O-{4-[(3S)-2-Acetyl-4-{[(1R,2E)-4-Amino-1-Carboxy-4-Oxo-2-Buten-1-Yl]Amino}-4-Hydroxy-1,2-Thiazetidin-3-Yl]-2-Butanyl}-2-Amino-2-Deoxy-α-D-Glucopyranose
Properties
Property | Value |
---|---|
Formula | C19H32N4O10S |
IUPAC Name | (e,2r)-2-[[(3s,4r)-2-acetyl-3-[(3s)-3-[(2s,3r,4r,5s,6r)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxybutyl]-4-hydroxy-thiazetidin-4-yl]amino]-5-amino-5-oxo-pent-3-enoic acid |
Molecular Mass | 508.543 g·mol−1 |
Heat of Formation | -1786.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.18 ± 1.08 D |
Volume | 580.75 Å 3 |
Surface Area | 465.71 Å 2 |
HOMO Energy | -8.52 ± 0.55 eV |
LUMO Energy | -0.86 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZBQHQSATUKWEDY-LJWAXXPWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |