CAS 108347-92-8 Neocarratetraose 41,43-disulfate disodium salt

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Neocarratetraose 41,43-disulfate disodium salt

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Catalog Number

ACM108347928-1

Product Name

Neocarratetraose 41,43-disulfate disodium salt

Structure

CAS

108347-92-8

Category

Polysaccharide

IUPAC Name

sodium;[(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-[[(1R,3R,4R,5R)-3-[(2R,3R,4R,5S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] sulfate

Molecular Weight

812.7g/mol

Molecular Formula

C24H37NaO25S2

Canonical SMILES

C1C2C(C(O1)C(C(O2)OC3C(C(OC(C3OS(=O)(=O)[O-])CO)OC4C5COC4C(C(O5)OC6C(C(OC(C6OS(=O)(=O)O)CO)O)O)O)O)O)O.[Na+]

InChI

InChI=1S/C24H38O25S2.Na/c25-1-5-15(48-50(33,34)35)19(10(28)21(32)41-5)46-23-12(30)18-14(8(44-23)4-40-18)45-24-13(31)20(16(6(2-26)42-24)49-51(36,37)38)47-22-11(29)17-9(27)7(43-22)3-39-17;/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38);/q;+1/p-1/t5-,6-,7-,8-,9?,10-,11-,12-,13-,14?,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+;/m1./s1

InChI Key

DJVAARLSIKDHFO-BVHPHYLYSA-M

Complexity

1420

Covalently-Bonded Unit Count

Exact Mass

812.096303g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

812.096303g/mol

Rotatable Bond Count