2-{5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 94356-26-0

Formula: C20H22O9

SMILES: OCC1OC(OC2=C(O)C=CC(C=CC3=CC(O)=CC(O)=C3)=C2)C(O)C(O)C1O

IUPAC: 2-{5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-7-10(3-4-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2

Composition: C (59.11%), H (5.46%), O (35.43%)

Molar Mass: 406.387

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	406.126382288
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
InChIKey	UMGCIIXWEFTPOC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	101.58
Topological Polar Surface Area	160.07
Polarizability	39.47
Ring Count	3
Rotatable Bond Count	5

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