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δ-Cyclodextrin

CAT: 0926-OC06645-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-OC06645-01Size:25 mg
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CAS Number
85220-53-7
Synonyms
Cyclomaltononaose
Molecular Formula
C54H90O45
Molecular Weight
1,459.27 g/mol
Controlled
No

Chemical Information

GlyTouCan:G73569DZ
CAS Number85220-53-7
PubChem CID11251927
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,41S,43R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R,57R,58R,59R,60R,61R,62R,63R)-5,10,15,20,25,30,35,40,45-nonakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39,42,44-octadecaoxadecacyclo[41.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.238,41]trihexacontane-46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63-octadecol
Molecular FormulaC54H90O45
Molecular Weight1459.3
XLogP-19.3
Topological Polar Surface Area712
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count45
Rotatable Bond Count9
Heavy Atom Count99
Formal Charge0
Complexity1960
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]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@H](O2)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O
InChI
InChI=1S/C54H90O45/c55-1-10-37-19(64)28(73)46(82-10)92-38-11(2-56)84-48(30(75)21(38)66)94-40-13(4-58)86-50(32(77)23(40)68)96-42-15(6-60)88-52(34(79)25(42)70)98-44-17(8-62)90-54(36(81)27(44)72)99-45-18(9-63)89-53(35(80)26(45)71)97-43-16(7-61)87-51(33(78)24(43)69)95-41-14(5-59)85-49(31(76)22(41)67)93-39-12(3-57)83-47(91-37)29(74)20(39)65/h10-81H,1-9H2/t10-,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-,49-,50-,51-,52-,53-,54-/m1/s1
InChIKey
UXRSQEDGDSCMFT-MIOCUFQXSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G73569DZ
CAS: 85220-53-7
CID: 11251927
Formula: C54H90O45
MW: 1459.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1459.3
XLogP3-19.3
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count45
Rotatable Bond Count9
Exact Mass1458.4754107
Monoisotopic Mass1458.4754107
Topological Polar Surface Area712 Ų
Heavy Atom Count99
Formal Charge0
Complexity1960
Isotope Atom Count0
Defined Atom Stereocenter Count45
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C8475-11-01β-Cyclodextrin, Hydroxypropyl (Hydroxypropyl-ß-cyclodextrin)
HY-B1513-01α-Cyclodextrin
3625â-CYCLODEXTRIN
sc-208516Aγ-Cyclodextrin
10006-14Β-Cyclodextrin
RM-C252702-01δ-Cyclodextrin

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