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2-(3-hydroxy-5-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

2-(3-hydroxy-5-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

CAS: 164991-86-0

Formula: C19H28O12

SMILES: CC1=CC(O)=CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C1

IUPAC: 2-(3-hydroxy-5-methylphenoxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

InChI: InChI=1/C19H28O12/c1-7-2-8(21)4-9(3-7)29-19-17(27)15(25)13(23)11(31-19)6-28-18-16(26)14(24)12(22)10(5-20)30-18/h2-4,10-27H,5-6H2,1H3

Composition: C (50.89%), H (6.29%), O (42.81%)

Molar Mass: 448.421

Atom Count: 59

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 10
Exact Mass 448.158076342
Formal Charge 0
FSP3 0.68
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 8
InChIKey XZPNBJLXZMBECP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 99.62
Topological Polar Surface Area 198.76
Polarizability 40.82
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 164991-86-0 $136.06-$405.13$136.06$231.61$405.13
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