2-{3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C21H24O9

SMILES: COC1=C(O)C=CC(C=CC2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)=C1

IUPAC: 2-{3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3

Composition: C (60.00%), H (5.75%), O (34.25%)

Molar Mass: 420.414

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	420.142032353
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	6
InChIKey	KLPUXMNQDCUPNO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.06
Topological Polar Surface Area	149.07
Polarizability	41.36
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C21H24O9		Quote Only