chempirical

γ-Cyclodextrin

C48H80O40CAS 17465-86-01297.13 g/mol

Open in Covalent MOL file
HOOOHOOHOHOOHOOHOHOHOHOOOHOHOOHHOOOHOHOOHOHOHOOHOOHOOOHOOHOOHOOH
AcetalAlcoholEther

Properties

Molecular formula
C48H80O40
Molar mass
1297.13 g/mol
Exact mass
1296.4226 Da
Melting point
260–340 °C (decomposes)
logP
-17.41Crippen estimate
Polar surface area
633.2 Ų
H-bond donors / acceptors
24 / 40
Rotatable bonds
8
Stereocentres
R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, S, R, R, R, R, R, R, R, R, Rin SMILES atom order

Identifiers

CAS number
17465-86-0
SMILES
OC[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](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIKey
GDSRMADSINPKSL-HSEONFRVSA-N
InChI
InChI=1S/C48H80O40/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/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • 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.
  • Cyclooctaamylose
  • γ-Dextrin
  • Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-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-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
  • Cyclomaltooctaose
  • Ringdex C
  • Dexy pearl γ-100
  • Celdex C 100
  • Cavamax W 8
  • Celdex G 100
  • Cavamax 8 food
  • Cavamax W 8 food
  • Rindex C
  • γ-100
  • Cavasol W8
  • Cavasol W 6
  • Dexipar γ-100

Work with γ-Cyclodextrin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α-Cyclodextrin10016-20-3100 % similar β-Cyclodextrin7585-39-9100 % similar α-D-Lactose14641-93-173 % similar β-Lactose5965-66-273 % similar Lactose, monohydrate10039-26-667 % similar β-Cyclodextrin-epichlorohydrin copolymer25655-42-967 % similar α-Lactose monohydrate5989-81-167 % similar Trehalose99-20-765 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook