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1-(2,4-dihydroxyphenyl)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one

1-(2,4-dihydroxyphenyl)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one

CAS: 5041-81-6

Formula: C21H22O9

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

IUPAC: 1-(2,4-dihydroxyphenyl)-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one

InChI: InChI=1/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2

Composition: C (60.28%), H (5.30%), O (34.41%)

Molar Mass: 418.398

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 418.126382288
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 6
InChIKey YNWXJFQOCHMPCK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 104.96
Topological Polar Surface Area 156.91
Polarizability 40.76
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
98% <14 Days 5041-81-6 Quote Only
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98% <10 Days 5041-81-6 Quote Only
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98% <4 Days 5041-81-6 $75.68-$267.54$75.68$126.89$267.54
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