Cas no 165133-56-2 (Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin)

Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin structure
165133-56-2 structure
Product Name:Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin
CAS No:165133-56-2
MF:C50H86O41S2
MW:1407.3233
MDL:MFCD27665407
CID:1056353
Update Time:2025-04-17

Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin Chemical and Physical Properties

Names and Identifiers

    • Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin
    • β-?Cyclodextrin, heptakis-?O-?(4-?sulfobutyl)?-
    • 4-[[36,37,38,39,40,41,42,43,44,45,46,48,49-Tridecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-47
    • Heptakis-O-(4-sulfobutyl)-β-Cyclodextrin
    • MDL: MFCD27665407
    • Inchi: 1S/C50H86O41S2/c51-9-16-36-23(57)29(63)45(78-16)86-38-18(11-53)80-47(31(65)25(38)59)88-40-20(13-55)82-49(33(67)27(40)61)90-42-22(15-76-5-1-3-7-92(70,71)72)84-50(43(35(42)69)77-6-2-4-8-93(73,74)75)91-41-21(14-56)83-48(34(68)28(41)62)89-39-19(12-54)81-46(32(66)26(39)60)87-37-17(10-52)79-44(85-36)30(64)24(37)58/h16-69H,1-15H2,(H,70,71,72)(H,73,74,75)
    • InChI Key: UKAWYWGUNZUQQR-UHFFFAOYSA-N
    • SMILES: S(C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC1([H])C2([H])OC([H])(C([H])([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])C([H])(C1([H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O2)O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])(=O)(=O)O[H]

Computed Properties

  • Exact Mass: 1288.40000
  • Hydrogen Bond Donor Count: 21
  • Hydrogen Bond Acceptor Count: 41
  • Heavy Atom Count: 93
  • Rotatable Bond Count: 19
  • Complexity: 2490
  • Topological Polar Surface Area: 658

Experimental Properties

  • PSA: 637.03000
  • LogP: -14.50310

Heptakis-O-(4-sulfobutyl)-beta-Cyclodextrin Pricemore >>

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