2-(4-{3-[2-(Trifluoromethyl)-10H-Phenothiazin-10-Yl]Propyl}-1-Piperazinyl)Ethyl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
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Formula | C28H34F3N3O7S |
IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 613.646 g·mol−1 |
Heat of Formation | -1658.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.03 ± 1.08 D |
Volume | 684.1 Å 3 |
Surface Area | 550.55 Å 2 |
HOMO Energy | -8.06 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | FPAXYGQWHAIDFV-GAYSTUHSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |