Home Aminos β-Cyclodextrin, 3A-amino-3A-deoxy-, (2AS,3AS)-

β-Cyclodextrin, 3A-amino-3A-deoxy-, (2AS,3AS)-

CAS No.:
117194-77-1
Catalog Number:
AG000DWV
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
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200mg
>97.0%(T)
1 week
United States
$169
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Product Description
Catalog Number:
AG000DWV
Chemical Name:
β-Cyclodextrin, 3A-amino-3A-deoxy-, (2AS,3AS)-
CAS Number:
117194-77-1
MDL Number:
MFCD10566874
IUPAC Name:
(1S,3R,5R,6S,8S,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,48S,49S)-48-amino-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-36,37,38,39,40,41,42,43,44,45,46,47,49-tridecol
InChI:
InChI=1S/C42H71NO34/c43-15-16(51)36-64-8(1-44)29(15)71-37-23(58)17(52)31(10(3-46)65-37)73-39-25(60)19(54)33(12(5-48)67-39)75-41-27(62)21(56)35(14(7-50)69-41)77-42-28(63)22(57)34(13(6-49)70-42)76-40-26(61)20(55)32(11(4-47)68-40)74-38-24(59)18(53)30(72-36)9(2-45)66-38/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
InChI Key:
OZLVLKFBPJMRCM-FUFZOPRGSA-N
Properties
Complexity:
1840  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
35  
Defined Bond Stereocenter Count:
0
Exact Mass:
1133.386g/mol
Formal Charge:
0
Heavy Atom Count:
77  
Hydrogen Bond Acceptor Count:
35  
Hydrogen Bond Donor Count:
21  
Isotope Atom Count:
0
Molecular Weight:
1134.003g/mol
Monoisotopic Mass:
1133.386g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
560A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-15.3  
Properties