AG003QQG

91464-90-3 | γ-Cyclodextrin xhydrate

AG003QQG

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CAS Number	91464-90-3
Catalog Number	AG003QQG(AGN-PC-0VSH09)
Chemical Name	γ-Cyclodextrin xhydrate
IUPAC Name	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-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;hydrate
InChI	InChI=1S/C48H80O40.H2O/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;1H2/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
InChI Key	SPKUKQHKKVTYOE-SMTXKKGASA-N
MDL Number	MFCD00149574
Molecular Formula	C48H82O41
Molecular Weight	1315.1401
SMILES	O[C@@H]1[C@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O[C@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O[C@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)OC(O[C@H]7CO)[C@@H](O)[C@H](O)[C@H]7O[C@H](O[C@H]8CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H](O[C@@H]9CO)[C@H](O)[C@@H](O)[C@@H]9O[C@H]1O[C@@H]2CO)O)O)O)O)O)O)O)O)O.[H]O[H]
Synonyms	gamma-Cyclodextrin hydrate, 91464-90-3, Cyclooctaamylose, MFCD00149574, gamma-Cyclodextrin hydrate, 99%, 1297.12 (anhydrous), SCHEMBL2780992, C48H80O40.xH2O, DTXSID10746588, PUBCHEM_71311509, AKOS025310710, AS-12515, gamma-Cyclodextrin hydrate, Vetec(TM) reagent grade, -Cyclodextrin, |A-Schardinger dextrin, |A-Cyclodextrin hydrate, Schardinger gamma-Dextrin, gamma-Cyclodextrin hydrate, 98.5% - 1G 1g, 17465-86-0,

Complexity	1720
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	40
Defined Bond Stereocenter Count	0
Exact Mass	1314.433g/mol
Formal Charge	0
Heavy Atom Count	89
Hydrogen Bond Acceptor Count	41
Hydrogen Bond Donor Count	25
Isotope Atom Count	0
Molecular Weight	1315.143g/mol
Monoisotopic Mass	1314.433g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	634A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number