Neocarraoctaose 4(1),4(3),4(5),4(7)-Tetrasulfate Tetrasodium Salt
[CAS# 133647-94-6]

Identification

• Name: Neocarraoctaose 4(1),4(3),4(5),4(7)-Tetrasulfate Tetrasodium Salt
• Synonyms: 3,6-Anhydro-α-D-galactopyranosyl-(1-> 3)-4-O-sulfonato-β-D-galactopyranosyl-(1-> 4)-3,6-anhydro-α-D-galactopyranosyl-(1-> 3)-4-O-sulfonato-β-D-galactopyranosyl-(1-> 4)-3,6-anhydro-α-D-ga ; lactopyranosyl-(1->
• Molecular Formula: C₄₈H₇₀Na₄O₄₉S₄
• Molecular Weight: 1651.26
• CAS Registry Number: 133647-94-6
• SMILES: C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)[O-])CO)O[C@H]7[C@H]8CO[C@@H]7[C@H]([C@H](O8)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@@H]9OS(=O)(=O)[O-])CO)O[C@H]1[C@H]2CO[C@@H]1[C@H]([C@H](O2)O[C@H]1[C@H]([C@H](OC([C@@H]1O)O)CO)OS(=O)(=O)[O-])O)O)O)O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]
• 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
• InChIKey: QVAKGEVIXLNPPV-CQWLXSKTSA-J

Properties

• Refractive index: (Cal.)