α-Cyclodextrin

C36H60O30CAS 10016-20-3972.85 g/mol

Open in Covalent MOL file
OHOOHOOHOOHOHOOHOHOOHHOOOHHOOHOHOOOHOOHOHOOOHOOH
AcetalAlcoholEther

Properties

Molecular formula
C36H60O30
Molar mass
972.85 g/mol
Exact mass
972.3169 Da
logP
-13.05Crippen estimate
Polar surface area
474.9 Ų
H-bond donors / acceptors
18 / 30
Rotatable bonds
6
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, R, R, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 77 ECHA notifiers. Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
10016-20-3
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]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIKey
HFHDHCJBZVLPGP-RWMJIURBSA-N
InChI
InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,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-/m1/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Cyclohexaamylose
  • 2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, α-cyclodextrin deriv.
  • Dextrin, α-cyclo
  • α-Schardinger dextrin
  • Cyclomaltohexaose
  • Cyclomaltohexose
  • α-Dextrin
  • α-Cycloamylose
  • Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
  • Cyclohexadextrin
  • Alfadex
  • Ringdex A
  • Celdex A 100
  • Dexy pearl α-100
  • NSC 269470
  • Cavamax W 6
  • Cavamax W 6 food
  • Isoeleat K 50
  • α-100
  • Dexipar α-100
  • Alpha-cyclodextrin

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 10016-20-3. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with α-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

Gamma-cyclodextrin17465-86-0100 % similar β-Cyclodextrin7585-39-9100 % similar Beta-cyclodextrin hydrate68168-23-088 % similar 6-Monodeoxy-6-monoamino-beta-cyclodextrine29390-67-879 % similar α-D-Lactose14641-93-173 % similar β-Lactose5965-66-273 % similar Dextrin9004-53-973 % similar Amylodextrin9005-84-973 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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