Home Other Building Blocks Heptakis(2,3-dimethyl)-β-cyclodextrin

Heptakis(2,3-dimethyl)-β-cyclodextrin

CAS No.:
123155-05-5
Catalog Number:
AG009EP2
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009EP2
Chemical Name:
Heptakis(2,3-dimethyl)-β-cyclodextrin
CAS Number:
123155-05-5
MDL Number:
MFCD05864947
IUPAC Name:
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,41R,42R,43R,44R,45R,46S,47R,48R,49R)-10,15,20,25,30,35-hexakis(hydroxymethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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]nonatetracontan-5-yl]methanol
InChI:
InChI=1S/C56H98O35/c1-64-36-29-22(15-57)78-50(43(36)71-8)86-30-23(16-58)80-52(45(73-10)37(30)65-2)88-32-25(18-60)82-54(47(75-12)39(32)67-4)90-34-27(20-62)84-56(49(77-14)41(34)69-6)91-35-28(21-63)83-55(48(76-13)42(35)70-7)89-33-26(19-61)81-53(46(74-11)40(33)68-5)87-31-24(17-59)79-51(85-29)44(72-9)38(31)66-3/h22-63H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38?,39+,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
InChI Key:
RKASCZVTBITFFN-XIINBPJDSA-N
Properties
Complexity:
1690  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
34  
Defined Bond Stereocenter Count:
0
Exact Mass:
1330.589g/mol
Formal Charge:
0
Heavy Atom Count:
91  
Hydrogen Bond Acceptor Count:
35  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
1331.365g/mol
Monoisotopic Mass:
1330.589g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
400A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.5  
Properties