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Isomaltohexose

CAT: 0013-GTR19242850-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242850-02Size:50 mg
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Description
Isomaltohexose is a naturally occurring oligosaccharide utilized in life science research. It serves as a substrate in enzymatic studies and is investigated in vitro and in vivo for its potential prebiotic effects on gut microbiota.
CAS Number
6175-02-6
Smiles
O (C[C@H] ([C@H] ([C@@H] ([C@H] (C=O) O) O) O) O) [C@H]1O[C@H] (CO[C@H]2O[C@H] (CO[C@H]3O[C@H] (CO[C@H]4O[C@H] (CO[C@H]5O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]5O) [C@@H] (O) [C@H] (O) [C@H]4O) [C@@H] (O) [C@H] (O) [C@H]3O) [C@@H] (O) [C@H] (O) [C@H]2O) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C36H62O31
Molecular Weight
990.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isomaltohexose

RN given refers to (D-alpha)-isomer

CAS Number6175-02-6
PubChem CID188993
IUPAC Name(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
Molecular FormulaC36H62O31
Molecular Weight990.9
XLogP-13.6
Topological Polar Surface Area514
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count31
Rotatable Bond Count20
Heavy Atom Count67
Formal Charge0
Complexity1490
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C36H62O31/c37-1-8(39)15(41)16(42)9(40)3-58-32-28(54)23(49)18(44)11(64-32)5-60-34-30(56)25(51)20(46)13(66-34)7-62-36-31(57)26(52)21(47)14(67-36)6-61-35-29(55)24(50)19(45)12(65-35)4-59-33-27(53)22(48)17(43)10(2-38)63-33/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
InChIKey
OITCGTKWORAONZ-UUCUGTBWSA-N
Chemical Structure
2D Structure
2D structure of Isomaltohexose
CAS: 6175-02-6
CID: 188993
Formula: C36H62O31
MW: 990.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight990.9
XLogP3-13.6
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count31
Rotatable Bond Count20
Exact Mass990.32750517
Monoisotopic Mass990.32750517
Topological Polar Surface Area514 Ų
Heavy Atom Count67
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN8730-01Isomaltohexose

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