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maltohexaose

maltohexaose

CAS: 34620-77-4

Formula: C36H62O31

SMILES: OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O

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

InChI: InChI=1S/C36H62O31/c37-1-8(44)15(46)27(9(45)2-38)63-33-23(54)18(49)29(11(4-40)59-33)65-35-25(56)20(51)31(13(6-42)61-35)67-36-26(57)21(52)30(14(7-43)62-36)66-34-24(55)19(50)28(12(5-41)60-34)64-32-22(53)17(48)16(47)10(3-39)58-32/h1,8-36,38-57H,2-7H2/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18+,19+,20+,21+,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+/m0/s1

Composition: C (43.64%), H (6.31%), O (50.05%)

Molar Mass: 990.861

Atom Count: 129

Heavy Atom Count: 67

Properties
Properties
Common Names maltohexaose
Aromatic Ring Count 0
Asymmetric Atom Count 29
Exact Mass 990.327505216
Formal Charge 0
FSP3 0.97
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 31
Hydrogen Bond Donor Count 20
InChIKey DJMVHSOAUQHPSN-KZSASMRXSA-N
Lipinski's Rule of Five
Molar Refractivity 199.41
Topological Polar Surface Area 513.97
Polarizability 84.32
Ring Count 5
Rotatable Bond Count 20

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Purity LeadTime CAS UnitPrice
98% <14 Days 34620-77-4 Quote Only