Products for Research Use Only
RegisterLogin

Beta-Cyclodextrin hydrate

CAT: 0572-TRC-I120080-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-I120080-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
68168-23-0
Synonyms
beta-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 cyclodextrin deriv.; beta-Cyclodextrin hydrate; b-Cyclodextrin hydrate
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O
Molecular Formula
C42H70O35 . xH2O
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

beta-Cyclodextrin hydrate
CAS Number68168-23-0
PubChem CID53486154
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-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;hydrate
Molecular FormulaC42H72O36
Molecular Weight1153.0
Topological Polar Surface Area555
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count36
Rotatable Bond Count7
Heavy Atom Count78
Formal Charge0
Complexity1480
SMILES
C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O.O
InChI
InChI=1S/C42H70O35.H2O/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;1H2/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
InChIKey
JNSAKCOAFBFODP-ZQOBQRRWSA-N
Chemical Structure
2D Structure
2D structure of beta-Cyclodextrin hydrate
CAS: 68168-23-0
CID: 53486154
Formula: C42H72O36
MW: 1153.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1153.0
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count36
Rotatable Bond Count7
Exact Mass1152.3803286
Monoisotopic Mass1152.3803286
Topological Polar Surface Area555 Ų
Heavy Atom Count78
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-I120080-500MGb-Cyclodextrin hydrate
TRC-C987830-25GBeta-Cyclodextrin
TRC-C987830-50Gbeta-Cyclodextrin
TRC-C987830-5GBeta-Cyclodextrin
TRC-T737000-100MGTriacetyl-Beta-cyclodextrin
TRC-C987832-100MGBeta-Cyclodextrin Deuterated
TRC-C990330-5MGbeta-Cyclodextrin Perbenzoate
TRC-C987832-50MGBeta-Cyclodextrin Deuterated
TRC-H952565-100G2-Hydroxypropyl-Beta-cyclodextrin
TRC-M524813-10MG6-Monoamino-Beta-cyclodextrin

Alternative Products

CatalogName
90032942-100gBeta-Cyclodextrin hydrate
sc-234439γ-Cyclodextrin hydrate
GTR19222656-01α-Cyclodextrin (hydrate)
HY-W040040Aγ-Cyclodextrin (hydrate)
CB0348a-Cyclodextrin hydrate
HY-107201Aβ-Cyclodextrin (hydrate)
MBS5796767alpha-Cyclodextrin (hydrate)
OR1015494-01Alpha-Cyclodextrin Hydrate
C3990-01α-Cyclodextrin Sulfated Sodium Salt Hydrate
FM62119-01Mono-2-O- (p-toluenesulfonyl) -b-cyclodextrin hydrate

Popular Products