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D- (+) -Cellohexose eicosaacetate

CAT: 0013-GTR19247143-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247143-02Size:100 mg
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Description
D- (+) -Cellohexose eicosaacetate is a biochemical reagent utilized in the study of glycobiology. Glycobiology focuses on the structure, synthesis, biology, and evolution of sugars, encompassing carbohydrate chemistry, glycan formation and degradation enzymology, protein-glycan recognition, and the role of glycans within biological systems. This field is closely linked to fundamental research, biomedicine, and biotechnology.
CAS Number
355012-91-8
Smiles
CC (O[C@H] ([C@H] ([C@@H] (O[C@@H]1COC (C) =O) O[C@H]2[C@@H] ([C@H] ([C@@H] (O[C@@H]2COC (C) =O) O[C@H]3[C@@H] ([C@H] (C (O[C@@H]3COC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) [C@@H]1O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) COC (C) =O) O[C@H]5[C@@H] ([C@H] ([C@@H] ([C@H] (O5) COC (C) =O) O[C@H]6[C@@H] ([C@H] ([C@@H] ([C@H] (O6) COC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) =O
Molecular Formula
C76H102O51
Molecular Weight
1831.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D-(+)-Cellohexose Eicosaacetate
CAS Number355012-91-8
PubChem CID131878339
IUPAC Name[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
Molecular FormulaC76H102O51
Molecular Weight1831.6
XLogP-2.4
Topological Polar Surface Area628
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count51
Rotatable Bond Count56
Heavy Atom Count127
Formal Charge0
Complexity3970
SMILES
CC(=O)OC[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]2OC(=O)C)OC(=O)C)O[C@@H]3[C@H](OC([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C76H102O51/c1-27(77)97-21-47-53(103-33(7)83)59(104-34(8)84)66(111-41(15)91)72(118-47)124-55-49(23-99-29(3)79)120-74(68(113-43(17)93)61(55)106-36(10)86)126-57-51(25-101-31(5)81)122-76(70(115-45(19)95)63(57)108-38(12)88)127-58-52(26-102-32(6)82)121-75(69(114-44(18)94)64(58)109-39(13)89)125-56-50(24-100-30(4)80)119-73(67(112-42(16)92)62(56)107-37(11)87)123-54-48(22-98-28(2)78)117-71(116-46(20)96)65(110-40(14)90)60(54)105-35(9)85/h47-76H,21-26H2,1-20H3/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71?,72+,73+,74+,75+,76+/m1/s1
InChIKey
XSGOGJVBNJFJDH-CSJZTHCRSA-N
Chemical Structure
2D Structure
2D structure of D-(+)-Cellohexose Eicosaacetate
CAS: 355012-91-8
CID: 131878339
Formula: C76H102O51
MW: 1831.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1831.6
XLogP3-2.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count51
Rotatable Bond Count56
Exact Mass1830.5387988
Monoisotopic Mass1830.5387988
Topological Polar Surface Area628 Ų
Heavy Atom Count127
Formal Charge0
Complexity3970
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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