β-Cyclodextrin

C42H70O35CAS 7585-39-91134.99 g/mol

Open in Covalent MOL file
HOOOHOHOOHOOHOOHOHOHOHOOOHOHOOHHOOOHOHOHOOHOOOHOHOOOHOOH
AcetalAlcoholEther

Properties

Molecular formula
C42H70O35
Molar mass
1134.99 g/mol
Exact mass
1134.3698 Da
Melting point
293–294 °C (decomposes)
logP
-15.23Crippen estimate
Polar surface area
554.0 Ų
H-bond donors / acceptors
21 / 35
Rotatable bonds
7
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, R, R, R, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 152 ECHA notifiers. Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7585-39-9
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]1[C@H](O)[C@H]2O)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
WHGYBXFWUBPSRW-FOUAGVGXSA-N
InChI
InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1

Weigh it out

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

Names and synonyms

42 names · show all
  • Cycloheptaamylose
  • 2,4,7,9,12,14,17,19,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane, β-cyclodextrin deriv.
  • Dextrin, β-cyclo
  • Cycloheptaglucosan
  • Cycloheptaglucan
  • β-Cycloamylose
  • Cyclomaltoheptaose
  • β-Cycloheptaamylose
  • Schardinger β-dextrin
  • β-Dextrin
  • Stereoisomer of 5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  • NSC 314334
  • Celdex N
  • Ringdex B
  • Ringdex BL
  • Rhodocap N
  • Betadex
  • Kleptose
  • Kleptose B
  • Celdex B 100
  • Cavamax W 7
  • BW 7
  • NSC 269471
  • BW 7 (polysaccharide)
  • Cyclodextrin beta W 7M1.8
  • Celdex B 100z
  • Cibatex OC-CLD
  • Rindex B
  • Celdex B 100H
  • Dexy pearl 100
  • CAVAMAX W7 Pharma
  • Cavamax W 7 food
  • Cawatex W 7
  • CYL 3190
  • B 100H
  • Cavatex W 7
  • Dexipar β-100
  • HP-β-CD
  • VTS 270
  • Kleptose STD
  • BCD
  • Beta-Cyclodextrin

Work with β-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Beta-cyclodextrin hydrate68168-23-0Hydrate

Similar compounds

α-Cyclodextrin10016-20-3100 % similar Gamma-cyclodextrin17465-86-0100 % 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 Cellulase9012-54-873 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook