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6-Amino-6-deoxy-β-cyclodextrin

CAT: 0804-HY-W129394-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W129394-01Size:100 mg
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Description
6-Amino-6-deoxy-β-cyclodextrin is a cyclodextrin derivative that can be used to prepare other cyclodextrin derivatives. 6-Amino-6-deoxy-β-cyclodextrin can also be used as a chiral selector for chiral separation of α-amino acid derivatives by capillary electrophoresis[1].
CAS Number
29390-67-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
95.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC[C@@H]1[C@]2([H])[C@@H]([C@H]([C@](O[C@]3([H])[C@H](O[C@@](O[C@]4([H])[C@H](OC(O[C@]5([H])[C@H](O[C@]([C@@H]([C@H]5O)O)([H])O[C@@]6([H])[C@@H]([C@H]([C@@](O[C@@H]6CO)([H])O[C@@]7([H])[C@@H]([C@H]([C@@](O[C@@H]7CO)([H])O[C@@]8([H])[C@@H]([C@H]([C@@](O[C@@H]8CO)([H])O2)O)O)O)O)O)O)CO)([H])[C@@H]([C@H]4O)O)CO)([H])[C@@H]([C@H]3O)O)CO)([H])O1)O)O
Molecular Formula
C42H71NO34
Molecular Weight
1134.00
Precautions
H302, H315, H319, H335
References & Citations
[1]Egashira N, et al. Notes Chiral Separation of α-Amino Acid Derivatives by Capillary Electrophoresis Using 6-Amino-6-deoxy-β-cyclodextrin and Its N-Hexyl Derivative as Chiral Selectors. Analytical sciences, 1996, 12 (3) : 503-505.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

GlyTouCan:G29217AH
CAS Number29390-67-8
PubChem CID9854967
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-(aminomethyl)-10,15,20,25,30,35-hexakis(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
Molecular FormulaC42H71NO34
Molecular Weight1134.0
XLogP-15.3
Topological Polar Surface Area560
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count35
Rotatable Bond Count7
Heavy Atom Count77
Formal Charge0
Complexity1840
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)N
InChI
InChI=1S/C42H71NO34/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/h8-42,44-63H,1-7,43H2/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
OZBFLQITCMCIOY-FOUAGVGXSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G29217AH
CAS: 29390-67-8
CID: 9854967
Formula: C42H71NO34
MW: 1134.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1134.0
XLogP3-15.3
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count35
Rotatable Bond Count7
Exact Mass1133.3857483
Monoisotopic Mass1133.3857483
Topological Polar Surface Area560 Ų
Heavy Atom Count77
Formal Charge0
Complexity1840
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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