2-(4-{3-[2-(Trifluoromethyl)-10H-Phenothiazin-10-Yl]Propyl}-1-Piperazinyl)Ethyl β-L-Glycero-Hexopyranosiduronic Acid

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Properties Simple | Detailed

Formula C28H52F3N3O7S
IUPAC Name (3r,6s)-3,4,5-trihydroxy-6-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]oxane-2-carboxylic acid
Molecular Mass 647.916 g·mol−1
Heat of Formation 5446.0 ± 16.7 kJ·mol−1
Dipole Moment 68.20 ± 1.08 D
Volume 967.06 Å 3
Surface Area 755.63 Å 2
HOMO Energy -6.72 ± 0.55 eV
LUMO Energy -5.99 ± eV
Point Group Symmetry C1
InChIKey FPAXYGQWHAIDFV-RYIFMDQWSA-N
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