CAS 133647-94-6 Neocarraoctaose 41,43,45,47-tetrasulfate tetrasodium salt

NAVIGATION

Neocarraoctaose 41,43,45,47-tetrasulfate tetrasodium salt

PRICE INQUIRY

Catalog Number

ACM133647946-1

CAS Number

133647-94-6

Product Name

Neocarraoctaose 41,43,45,47-tetrasulfate tetrasodium salt

Structure

Category

Polysaccharide

IUPAC Name

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

1651.3g/mol

Molecular Formula

C48H70Na4O49S4

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)OC7C8COC7C(C(O8)OC9C(C(OC(C9OS(=O)(=O)[O-])CO)OC1C2COC1C(C(O2)OC1C(C(OC(C1OS(=O)(=O)[O-])CO)O)O)O)O)O)O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C48H74O49S4.4Na/c49-1-9-29(94-98(63,64)65)37(18(54)41(62)79-9)90-43-20(56)34-26(14(84-43)6-76-34)87-47-24(60)39(31(11(3-51)81-47)96-100(69,70)71)92-45-22(58)36-28(16(86-45)8-78-36)89-48-25(61)40(32(12(4-52)82-48)97-101(72,73)74)93-44-21(57)35-27(15(85-44)7-77-35)88-46-23(59)38(30(10(2-50)80-46)95-99(66,67)68)91-42-19(55)33-17(53)13(83-42)5-75-33;;;;/h9-62H,1-8H2,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;/q;4*+1/p-4/t9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41?,42-,43-,44-,45-,46+,47+,48+;;;;/m1..../s1

InChI Key

QVAKGEVIXLNPPV-CQWLXSKTSA-J

Complexity

3200

Covalently-Bonded Unit Count

Exact Mass

1650.14593g/mol

Formal Charge

Heavy Atom Count

105

Monoisotopic Mass

1650.14593g/mol