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Hydroxypropyl-beta-cyclodextrin

CAS No.:
94035-02-6
Catalog Number:
AG01EFWS
Molecular Formula:
C54H102O39
Molecular Weight:
1375.3643
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Product Description
Catalog Number:
AG01EFWS
Chemical Name:
Hydroxypropyl-beta-cyclodextrin
CAS Number:
94035-02-6
Molecular Formula:
C54H102O39
Molecular Weight:
1375.3643
MDL Number:
MFCD00069372
IUPAC Name:
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;propan-1-ol
InChI:
InChI=1S/C42H70O35.4C3H8O/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;4*1-2-3-4/h8-63H,1-7H2;4*4H,2-3H2,1H3
InChI Key:
BZRWCHBEBFPRGF-UHFFFAOYSA-N
SMILES:
OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO.CCCO.CCCO.CCCO.CCCO
EC Number:
618-994-5
Properties
Complexity:
1490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1374.6g/mol
Formal Charge:
0
Heavy Atom Count:
93  
Hydrogen Bond Acceptor Count:
39  
Hydrogen Bond Donor Count:
25  
Isotope Atom Count:
0
Molecular Weight:
1375.371g/mol
Monoisotopic Mass:
1374.6g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
635A^2
Undefined Atom Stereocenter Count:
35  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Cytoprotection of pancreatic β-cells and hypoglycemic effect of 2-hydroxypropyl-β-cyclodextrin: sertraline complex in alloxan-induced diabetic rats. Chemico-biological interactions 20160125
Liver x receptor modulation of gene expression leading to proluteolytic effects in primate luteal cells. Biology of reproduction 20120301
Interaction of a functionalized complex of the flavonoid hesperetin with the AhR pathway and CYP1A1 expression: involvement in its protective effects against benzo[a]pyrene-induced oxidative stress in human skin. Cell biology and toxicology 20111001
Progesterone impairs human ether-a-go-go-related gene (HERG) trafficking by disruption of intracellular cholesterol homeostasis. The Journal of biological chemistry 20110624
Comprehensive investigation of hydroxypropyl methylcellulose, propylene glycol, polysorbate 80, and hydroxypropyl-beta-cyclodextrin for use in general toxicology studies. Toxicological sciences : an official journal of the Society of Toxicology 20101001
Properties