6-O-Alpha-D-glucosyl-beta-cyclodextrin

C₄₈H₈₀O₄₀CAS 92517-02-71297.13 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₄₈H₈₀O₄₀
Molar mass: 1297.13 g/mol
Exact mass: 1296.4226 Da
logP: -17.41Crippen estimate
Polar surface area: 633.2 Å²
H-bond donors / acceptors: 24 / 40
Rotatable bonds: 10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

92517-02-7

SMILES

C(C1C(C(C(C(O1)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O3)C(C9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O

InChIKey

XXFANTYPKDIONG-UHFFFAOYSA-N

InChI

InChI=1S/C48H80O40/c49-1-9-17(56)18(57)26(65)41(74-9)73-8-16-40-25(64)33(72)48(81-16)87-39-15(7-55)79-46(31(70)23(39)62)85-37-13(5-53)77-44(29(68)21(37)60)83-35-11(3-51)75-42(27(66)19(35)58)82-34-10(2-50)76-43(28(67)20(34)59)84-36-12(4-52)78-45(30(69)22(36)61)86-38-14(6-54)80-47(88-40)32(71)24(38)63/h9-72H,1-8H2

Weigh it out

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

Work with 6-O-Alpha-D-glucosyl-beta-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

Glycogen9005-79-286 % similar α-Cyclodextrin10016-20-371 % similar β-Cyclodextrin7585-39-971 % similar α-D-Lactose14641-93-169 % similar β-Lactose5965-66-269 % similar Dextrin9004-53-969 % similar Amylodextrin9005-84-969 % similar Cellulase9012-54-869 % similar

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

Same formula

Gamma-cyclodextrin17465-86-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook