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Hyaluronate hexasaccharide

CAT: 0804-HY-W783987Size: 1 EachDry Ice: NoHazardous: No
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Description
Hyaluronate hexasaccharide is a biochemical assay reagent.
CAS Number
73603-40-4
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hyaluronate-hexasaccharide.html
Smiles
CC(N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O)NC(C)=O)C(O)=O)O)CO)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](C=O)NC(C)=O)C(O)=O)=O
Molecular Formula
C42H65N3O34
Molecular Weight
1155.97
Shipping Conditions
Room Temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

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-alpha-L-gulopyranosyl-(1->4)-alpha-L-gulopyranuronosyl-(1->3)-2-acetamido-2-deoxy-L-gulopyranose
CAS Number73603-40-4
PubChem CID44630033
IUPAC Name(2R,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6S)-3-acetamido-2-[(2R,3S,4R,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-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC42H65N3O34
Molecular Weight1156.0
XLogP-10.9
Topological Polar Surface Area584
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count34
Rotatable Bond Count19
Heavy Atom Count79
Formal Charge0
Complexity2120
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](O[C@H]([C@H]3O)CO)O[C@H]4[C@@H]([C@@H]([C@@H](O[C@H]4C(=O)O)O[C@H]5[C@@H]([C@@H](OC([C@H]5NC(=O)C)O)CO)O)O)O)NC(=O)C)O)O)CO)O)O[C@H]6[C@H]([C@H]([C@@H]([C@@H](O6)C(=O)O)O)O)O
InChI
InChI=1S/C42H65N3O34/c1-7(49)43-13-26(16(52)10(4-46)69-37(13)68)72-41-24(60)21(57)29(32(78-41)35(64)65)75-39-15(45-9(3)51)28(18(54)12(6-48)71-39)74-42-25(61)22(58)30(33(79-42)36(66)67)76-38-14(44-8(2)50)27(17(53)11(5-47)70-38)73-40-23(59)19(55)20(56)31(77-40)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29-,30-,31+,32+,33+,37?,38-,39-,40+,41+,42+/m0/s1
InChIKey
LFAUBHLTGUFQPC-PQHHSPKYSA-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-alpha-L-gulopyranosyl-(1->4)-alpha-L-gulopyranuronosyl-(1->3)-2-acetamido-2-deoxy-L-gulopyranose
CAS: 73603-40-4
CID: 44630033
Formula: C42H65N3O34
MW: 1156.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1156.0
XLogP3-10.9
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count34
Rotatable Bond Count19
Exact Mass1155.3449461
Monoisotopic Mass1155.3449461
Topological Polar Surface Area584 Ų
Heavy Atom Count79
Formal Charge0
Complexity2120
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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