chempirical

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

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

20 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

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

γ-Cyclodextrin17465-86-0100 % 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 Wikipedia