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Hyaluronate Tetrasaccharide

CAT: 0127-OR1079033-01Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
57282-61-8
Purity
≥95%
Smiles
CC (=O) NC1C (C (C (OC1O) CO) O) OC2C (C (C (C (O2) C (=O) O) OC3C (C (C (C (O3) CO) O) OC4C (C (C (C (O4) C (=O) O) O) O) O) NC (=O) C) O) O

Chemical Information

alpha-L-Gulopyranuronosyl-(1->3)-2-acetamido-2-deoxy-alpha-L-gulopyranosyl-(1->4)-alpha-L-gulopyranuronosyl-(1->3)-2-acetamido-2-deoxy-L-gulopyranose
CAS Number57282-61-8
PubChem CID44630032
IUPAC Name(2R,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6S)-3-acetamido-2-[(2R,3S,4R,5S,6R)-6-[(3S,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC28H44N2O23
Molecular Weight776.6
XLogP-7.4
Topological Polar Surface Area400
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count12
Heavy Atom Count53
Formal Charge0
Complexity1300
SMILES
CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2C(=O)O)O[C@H]3[C@@H]([C@@H](OC([C@H]3NC(=O)C)O)CO)O)O)O)CO)O)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+,19+,20-,21+,22+,25?,26-,27+,28+/m0/s1
InChIKey
KIUKXJAPPMFGSW-NSFQZMNSSA-N
Chemical Structure
2D Structure
2D structure of alpha-L-Gulopyranuronosyl-(1->3)-2-acetamido-2-deoxy-alpha-L-gulopyranosyl-(1->4)-alpha-L-gulopyranuronosyl-(1->3)-2-acetamido-2-deoxy-L-gulopyranose
CAS: 57282-61-8
CID: 44630032
Formula: C28H44N2O23
MW: 776.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight776.6
XLogP3-7.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count12
Exact Mass776.23348565
Monoisotopic Mass776.23348565
Topological Polar Surface Area400 Ų
Heavy Atom Count53
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-295164Hyaluronate Tetrasaccharide
45/05-0010A-tetrasaccharide
OL58490-01LS-tetrasaccharide a
45/15-0010Glucose tetrasaccharide
OL09843-01Lewis A tetrasaccharide
OT58536-01Tetrasaccharide dp4
OL09569-01Lewis X tetrasaccharide
OL03877-01LS-tetrasaccharide b
297368-01Lewisa tetrasaccharide-BSA
451750Heparin derived Tetrasaccharide

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