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AF-399/40703806 is available in 16 mg

Compound details
MDL #:		MFCD02330694
Formula:		C20 H16 O10
Weight:		416.34
Chiral info:		Not available
Name:		2-{1,3-benzodioxol-5-yl[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
SMILES:		OCC1=CC(=O)C(O)=C(O1)C(c2ccc3OCOc3(c2))C=4OC(CO)=CC(=O)C=4(O)
InChI^TM:		InChI=1S/C20H16O10/c21-6-10-4-12(23)17(25)19(29-10)16(9-1-2-14-15(3-9)28-8-27-14)20-18(26)13(24)5-11(7-22)30-20/h1-5,16,21-22,25-26H,6-8H2
InChIKey^TM:		IFANXXPVKKNMJB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		7750 mg/Kg
Chronic LOAEL:		0.239 mg/Kg

Chemical properties calculations
LogP:	-1.21	H-acceptors: 8
LogS:	-1.2	H-donors: 4
tPSA:	151.98 Å²	Rotatable bonds: 5

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.