chempirical
Back to Search

Molecule

Γ-Cyclodextrin

CAS: 17465-86-0 · C48H80O40

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
17465-86-0
Molecular Formula
C48H80O40
Molecular Mass
1297.13 g/mol

Identifiers

CAS Registry 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

InChI Key

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

Names and Synonyms

  • Γ-Cyclodextrin Synonym
  • γ-Cyclodextrin Synonym
  • 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. Synonym
  • Cyclooctaamylose Synonym
  • γ-Dextrin Synonym
  • 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 Synonym
  • Cyclomaltooctaose Synonym
  • Ringdex C Synonym
  • Dexy Pearl γ-100 Synonym
  • Celdex C 100 Synonym
  • Cavamax W 8 Synonym
  • Celdex G 100 Synonym
  • Cavamax 8 Food Synonym
  • Cavamax W 8 Food Synonym
  • Rindex C Synonym
  • γ-100 Synonym
  • Cavasol W8 Synonym
  • Cavasol W 6 Synonym
  • Dexipar γ-100 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 1297.13 g/mol CAS Common Chemistry
1297.1280000000015 g/mol RDKit
1297.128 g/mol RDKit
Canonical SMILES OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC9C(O)C(O)C(OC9CO)OC1C(O)C2O CAS Common Chemistry
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 CAS Common Chemistry
InChI Key InChIKey=GDSRMADSINPKSL-HSEONFRVSA-N CAS Common Chemistry
Melting Point 260-340 °C (decomp) CAS Common Chemistry
Name γ-Cyclodextrin CAS Common Chemistry
Heavy Atom Count 88 RDKit
Hydrogen Bond Acceptors 40 RDKit
Hydrogen Bond Donors 24 RDKit
Rotatable Bonds 8 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 633.2000000000004 Ų RDKit
633.2 Ų RDKit
LogP -17.40639999999998 RDKit
-17.4064 RDKit
Molar Refractivity 261.0671999999997 cm³/mol RDKit
Ring Count 30 RDKit
Formal Charge 0 RDKit
Fraction Csp3 1.0 RDKit
Exact Mass 1296.4225873599996 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Convert

Quick conversion

MW = 1297.13 g/mol. Edit any field — others recompute live.

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close