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29390-66-7 | Mono-6-Iodo-6-deoxy-beta-Cyclodextrin
CAS No: 29390-66-7 Catalog No: AG00CF7B MDL No:
Product Description
Catalog Number:
AG00CF7B
Chemical Name:
Mono-6-Iodo-6-deoxy-beta-Cyclodextrin
CAS Number:
29390-66-7
IUPAC Name:
5,10,15,20,30,35-hexakis(hydroxymethyl)-25-(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/C42H69IO34/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,1-7H2
InChI Key:
OCIXNBOTZHQXRM-UHFFFAOYSA-N
Properties
Complexity:
1840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1244.271g/mol
Formal Charge:
0
Heavy Atom Count:
77
Hydrogen Bond Acceptor Count:
34
Hydrogen Bond Donor Count:
20
Isotope Atom Count:
0
Molecular Weight:
1244.884g/mol
Monoisotopic Mass:
1244.271g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
534A^2
Undefined Atom Stereocenter Count:
35
Undefined Bond Stereocenter Count:
0
XLogP3:
-13.2
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