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

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

CAS: 34620-76-3

Formula: C30H52O26

SMILES: OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5CO)OC4CO)OC3CO)OC2CO)C(O)C(O)C1O

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

InChI: InChI=1/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2

Composition: C (43.48%), H (6.32%), O (50.19%)

Molar Mass: 828.72

Atom Count: 108

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 25
Exact Mass 828.274681794
Formal Charge 0
FSP3 1
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 26
Hydrogen Bond Donor Count 17
InChIKey FTNIPWXXIGNQQF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 165.58
Topological Polar Surface Area 426.98
Polarizability 70.41
Ring Count 5
Rotatable Bond Count 13

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Purity LeadTime CAS UnitPrice
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98% <4 Days 34620-76-3 $38.22-$330.22$38.22$220.15$330.22
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