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121916-94-7 | α-Cyclodextrin, 3A-amino-3A-deoxy-, (2AS,3AS)-
CAS No: 121916-94-7 Catalog No: AG0016EM MDL No:
Product Description
Catalog Number:
AG0016EM
Chemical Name:
α-Cyclodextrin, 3A-amino-3A-deoxy-, (2AS,3AS)-
CAS Number:
121916-94-7
IUPAC Name:
(5R,10R,15R,20R,25R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41S,42S)-41-amino-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,42-undecol
InChI:
InChI=1S/C36H61NO29/c37-13-14(44)31-55-7(1-38)25(13)61-32-20(50)15(45)27(9(3-40)56-32)63-34-22(52)17(47)29(11(5-42)58-34)65-36-24(54)19(49)30(12(6-43)60-36)66-35-23(53)18(48)28(10(4-41)59-35)64-33-21(51)16(46)26(62-31)8(2-39)57-33/h7-36,38-54H,1-6,37H2/t7-,8-,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?/m1/s1
InChI Key:
TXBHONGFOHSVMN-LRGPBYCASA-N
Properties
Complexity:
1530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
18
Defined Bond Stereocenter Count:
0
Exact Mass:
971.333g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
30
Hydrogen Bond Donor Count:
18
Isotope Atom Count:
0
Molecular Weight:
971.862g/mol
Monoisotopic Mass:
971.333g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
481A^2
Undefined Atom Stereocenter Count:
12
Undefined Bond Stereocenter Count:
0
XLogP3:
-13.1
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