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Substance Name: alpha-Cyclodextrin, hydrogen sulfate
RN: 120366-24-7
InChIKey: SPIUHJINJWTDQE-UHFFFAOYSA-N

Molecular Formula

  • C36-H60-O84-S18

Molecular Weight

  • 2413.974
 
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Names and Synonyms

Synonyms

  • A-CDS
  • alpha-CDS
  • alpha-Cyclodextrin sulfate
  • Cyclohexaamylose polysulfate

Systematic Name

  • alpha-Cyclodextrin, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 120366-24-7

System Generated Number

  • 0120366247

Structure Descriptors

InChI

1S/C36H60O84S18/c37-121(38,39)91-1-7-13-19(109-127(55,56)57)25(115-133(73,74)75)31(97-7)104-14-8(2-92-122(40,41)42)99-33(27(117-135(79,80)81)20(14)110-128(58,59)60)106-16-10(4-94-124(46,47)48)101-35(29(119-137(85,86)87)22(16)112-130(64,65)66)108-18-12(6-96-126(52,53)54)102-36(30(120-138(88,89)90)24(18)114-132(70,71)72)107-17-11(5-95-125(49,50)51)100-34(28(118-136(82,83)84)23(17)113-131(67,68)69)105-15-9(3-93-123(43,44)45)98-32(103-13)26(116-134(76,77)78)21(15)111-129(61,62)63/h7-36H,1-6H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)

InChIKey

SPIUHJINJWTDQE-UHFFFAOYSA-N

Smiles

C(C1C2C(C(C(O1)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(OC(C(C4OS(=O)(=O)O)OS(=O)(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(OC(C(C6OS(=O)(=O)O)OS(=O)(=O)O)OC7C(OC(O2)C(C7OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O