Cas no 91464-90-3 (γ-Cyclodextrin Hydrate)

γ-Cyclodextrin Hydrate structure
γ-Cyclodextrin Hydrate structure
Product Name:γ-Cyclodextrin Hydrate
CAS No:91464-90-3
MF:C48H82O41
MW:1315.14010095596
MDL:MFCD00149574
CID:94997
PubChem ID:329769441
Update Time:2024-10-26

γ-Cyclodextrin Hydrate Chemical and Physical Properties

Names and Identifiers

    • GAMMA-CYCLODEXTRIN HYDRATE
    • ACETIC ANHYDRIDE (1,1'-13C2)
    • γ-cyclodextrin
    • γ-Cyclodextrin hydrate
    • ^y-Cyclodextrin hydrate
    • CYCLOOCTAPENTYLOSE
    • Y-CYCLODEXTRIN
    • γ-Schardinger dextrin
    • 1297.12 (anhydrous)
    • C48H80O40.xH2O
    • PUBCHEM_71311509
    • gamma-Cyclodextrin hydrate, Vetec(TM) reagent grade
    • 2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, γ-cyclodextrin deriv. (ZCI)
    • γ-Cyclodextrin, hydrate (9CI)
    • γ-Cyclodextrin Hydrate
    • MDL: MFCD00149574
    • Inchi: 1S/C48H80O40.H2O/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58;/h9-72H,1-8H2;1H2/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: SPKUKQHKKVTYOE-NXBDMPDXSA-N
    • SMILES: C([C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H]([C@@H]2O)O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O.O
    • BRN: 5725162

Computed Properties

  • Exact Mass: 1314.43000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 25
  • Hydrogen Bond Acceptor Count: 41
  • Heavy Atom Count: 89
  • Rotatable Bond Count: 8
  • Complexity: 1720
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 40
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 634

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 267?°C (dec.) (lit.)
  • PSA: 642.43000
  • LogP: -17.47070
  • Solubility: Not available
  • Specific Rotation: +176 ° ± 10° (c=1, H2O)
  • Optical Activity: [α]20/D +176.1°, c =?1 in H2O (dried basis)

γ-Cyclodextrin Hydrate Security Information

γ-Cyclodextrin Hydrate Pricemore >>

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