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Disialyloctasaccharide

CAT: 0804-HY-W540687-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W540687-01Size:1 mg
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Description
Disialyloctasaccharide is a class of biochemical reagents used in glycobiology studies. Glycobiology studies the structure, synthesis, biology, and evolution of sugars. It deals with carbohydrate chemistry, glycan formation and degradation enzymology, protein-glycan recognition, and the role of glycans in biological systems. The field is closely related to basic research, biomedicine and biotechnology[1].
CAS Number
58902-60-6
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Assay Protocol
https://www.medchemexpress.com/disialyloctasaccharide.html
Smiles
OC[C@@H](O[C@H]([C@@H]([C@H]1O)NC(C)=O)O[C@@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O)CO)O[C@@H]3[C@@H]([C@@H](O[C@@H]([C@H]3O)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO[C@]7(O[C@@]([C@@H]([C@H](C7)O)NC(C)=O)([H])[C@H](O)[C@H](O)CO)C(O)=O)O)NC(C)=O)O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)NC(C)=O)O)[C@H]1O[C@@H]([C@@H]([C@H]([C@H]8O)O)O)O[C@@H]8CO[C@]9(O[C@@]([C@@H]([C@H](C9)O)NC(C)=O)([H])[C@H](O)[C@H](O)CO)C(O)=O
Molecular Formula
C76H125N5O57
Molecular Weight
2020.81
References & Citations
[1]Opdenakker G, Rudd PM, Ponting CP, Dwek RA. Concepts and principles of glycobiology. FASEB J. 1993 Nov;7 (14) :1330-7.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Disialyloctasaccharide
CAS Number58902-60-6
PubChem CID145710326
IUPAC Name(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular FormulaC76H125N5O57
Molecular Weight2020.8
XLogP-22.3
Topological Polar Surface Area990
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count57
Rotatable Bond Count43
Heavy Atom Count138
Formal Charge0
Complexity3910
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O
InChI
InChI=1S/C76H125N5O57/c1-19(90)77-24(8-82)41(100)58(29(99)11-85)131-70-57(116)63(134-72-65(54(113)45(104)31(13-87)125-72)136-67-40(81-23(5)94)50(109)60(33(15-89)127-67)133-69-56(115)52(111)47(106)36(130-69)18-123-76(74(119)120)7-26(96)38(79-21(3)92)62(138-76)43(102)28(98)10-84)48(107)34(128-70)16-121-71-64(53(112)44(103)30(12-86)124-71)135-66-39(80-22(4)93)49(108)59(32(14-88)126-66)132-68-55(114)51(110)46(105)35(129-68)17-122-75(73(117)118)6-25(95)37(78-20(2)91)61(137-75)42(101)27(97)9-83/h8,24-72,83-89,95-116H,6-7,9-18H2,1-5H3,(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H,117,118)(H,119,120)/t24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,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+,75+,76+/m0/s1
InChIKey
YQWQHDSJVQCIQT-BNIJKCBMSA-N
Chemical Structure
2D Structure
2D structure of Disialyloctasaccharide
CAS: 58902-60-6
CID: 145710326
Formula: C76H125N5O57
MW: 2020.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2020.8
XLogP3-22.3
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count57
Rotatable Bond Count43
Exact Mass2019.7036323
Monoisotopic Mass2019.7036323
Topological Polar Surface Area990 Ų
Heavy Atom Count138
Formal Charge0
Complexity3910
Isotope Atom Count0
Defined Atom Stereocenter Count51
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19247207-01Disialyloctasaccharide

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