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128446-32-2 | β-Cyclodextrin, 2-hydroxyethyl ethers
CAS No: 128446-32-2 Catalog No: AG000Y48 MDL No:MFCD00074976
Product Description
Catalog Number:
AG000Y48
Chemical Name:
β-Cyclodextrin, 2-hydroxyethyl ethers
CAS Number:
128446-32-2
MDL Number:
MFCD00074976
IUPAC Name:
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-37,39,41,43,45,47,49-heptakis(2-hydroxyethoxy)-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-36,38,40,42,44,46,48-heptol
InChI:
InChI=1S/C56H98O42/c57-1-8-78-43-29(71)36-22(15-64)85-50(43)92-37-23(16-65)86-52(44(30(37)72)79-9-2-58)94-39-25(18-67)88-54(46(32(39)74)81-11-4-60)96-41-27(20-69)90-56(48(34(41)76)83-13-6-62)98-42-28(21-70)91-55(49(35(42)77)84-14-7-63)97-40-26(19-68)89-53(47(33(40)75)82-12-5-61)95-38-24(17-66)87-51(93-36)45(31(38)73)80-10-3-59/h22-77H,1-21H2/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:
PCWPQSDFNIFUPO-VDQKLNDWSA-N
Properties
Complexity:
1800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
35
Defined Bond Stereocenter Count:
0
Exact Mass:
1442.553g/mol
Formal Charge:
0
Heavy Atom Count:
98
Hydrogen Bond Acceptor Count:
42
Hydrogen Bond Donor Count:
21
Isotope Atom Count:
0
Molecular Weight:
1443.358g/mol
Monoisotopic Mass:
1442.553g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
619A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-16.1
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