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30754-23-5 | β-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptadeoxy-6A,6B,6C,6D,6E,6F,6G-heptaiodo-
CAS No: 30754-23-5 Catalog No: AG00316T MDL No:
Product Description
Catalog Number:
AG00316T
Chemical Name:
β-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptadeoxy-6A,6B,6C,6D,6E,6F,6G-heptaiodo-
CAS Number:
30754-23-5
IUPAC Name:
(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(iodomethyl)-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
InChI:
InChI=1S/C42H63I7O28/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/h8-42,50-63H,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:
YODKQJPYQJRHEQ-FOUAGVGXSA-N
Properties
Complexity:
1510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
35
Defined Bond Stereocenter Count:
0
Exact Mass:
1903.682g/mol
Formal Charge:
0
Heavy Atom Count:
77
Hydrogen Bond Acceptor Count:
28
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
1904.269g/mol
Monoisotopic Mass:
1903.682g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
412A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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