(2E)-4-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-({3-[(2S)-3-Hydroxy-2-Butanyl]-2-Oxiranyl}Methyl)Tetrahydro-2H-Pyran-2-Yl]-3-Methyl-2-Butenoic Acid
Properties
Property | Value |
---|---|
Formula | C17H28O7 |
IUPAC Name | (e)-4-[(2s,3s,4s,5r)-3,4-dihydroxy-5-[[(2s,3s)-3-[(1s,2r)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoic acid |
Molecular Mass | 344.400 g·mol−1 |
Heat of Formation | -1326.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.68 ± 1.08 D |
Volume | 420.49 Å 3 |
Surface Area | 369.08 Å 2 |
HOMO Energy | -10.24 ± 0.55 eV |
LUMO Energy | -0.22 ± eV |
Point Group Symmetry | C1 |
InChIKey | IUBMRJVNZLQSHU-VSRZSLJKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |