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61216-03-3

61216-03-3 | B-CYCLODEXTRIN-IODINE INCLUSION COMPLEX

CAS No: 61216-03-3 Catalog No: AG00EBHX MDL No:

Product Description

Catalog Number:
AG00EBHX
Chemical Name:
B-CYCLODEXTRIN-IODINE INCLUSION COMPLEX
CAS Number:
61216-03-3
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)-5,10,15,20,25,30,35-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;molecular iodine
InChI:
InChI=1S/C42H70O35.I2/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;1-2/h8-63H,1-7H2;/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:
DRVHPDLAZWMBAU-ZQOBQRRWSA-N

Properties

Complexity:
1480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
35  
Defined Bond Stereocenter Count:
0
Exact Mass:
1388.179g/mol
Formal Charge:
0
Heavy Atom Count:
79  
Hydrogen Bond Acceptor Count:
35  
Hydrogen Bond Donor Count:
21  
Isotope Atom Count:
0
Molecular Weight:
1388.796g/mol
Monoisotopic Mass:
1388.179g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
554A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Antimicrobial properties of cyclodextrin-antiseptics-complexes determined by microplate laser nephelometry and ATP bioluminescence assay. International journal of pharmaceutics 20121015

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