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Cellopentaose

CAT: 0931-T82749-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82749-02Size:5 mg
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CAS Number
2240-27-9
Bioactivity
Cellopentaose is a cellulose-derived penta-oligosaccharide [1].
Smiles
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C30H52O26
Molecular Weight
828.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cellopentaose

Cellopentaose is a pentasaccharide comprised of five D-glucose residues connected by beta(14) linkages.

CAS Number2240-27-9
PubChem CID16219172
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-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
Molecular FormulaC30H52O26
Molecular Weight828.7
XLogP-11.2
Topological Polar Surface Area427
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count26
Rotatable Bond Count13
Heavy Atom Count56
Formal Charge0
Complexity1210
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O
InChI
InChI=1S/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/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26?,27+,28+,29+,30+/m1/s1
InChIKey
FTNIPWXXIGNQQF-XHCCAYEESA-N
Chemical Structure
2D Structure
2D structure of Cellopentaose
CAS: 2240-27-9
CID: 16219172
Formula: C30H52O26
MW: 828.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.7
XLogP3-11.2
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count26
Rotatable Bond Count13
Exact Mass828.27468176
Monoisotopic Mass828.27468176
Topological Polar Surface Area427 Ų
Heavy Atom Count56
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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