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Hydroxypropyl-beta-cyclodextrin

CAT: 0931-T27563Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27563Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107745-73-3
Target
Others, SARS-CoV
Related Pathways
Others, Microbiology/Virology
Bioactivity
Hydroxypropyl-beta-cyclodextrin, also known as Hydroxypropyl-beta-cyclodextrin; THPB; HP-beta-CD; HPbCD; HP-beta-CyD; VTS-270; HPbetaCD; HPbetaCyD, is a drug candidate potentially for the treatment of Niemann-Pick type C diseases. In April 2009, hydroxypropyl-beta-cyclodextrin (HPbCD) was first approved.
Smiles
[H][C@@]12O[C@H](COCC(C)O)[C@@]([H])(O[C@@]3([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]4([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]5([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]6([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]7([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]8([H])O[C@H](COCC(C)O)[C@@]([H])(O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)C2O
Molecular Formula
C63H112O42
Molecular Weight
1541.547
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Hydroxypropyl-Beta-Cyclodextrin

Derivative of beta-cyclodextrin that is used as an excipient for steroid drugs and as a lipid chelator.

CAS Number107745-73-3
PubChem CID14049689
IUPAC Name(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(2-hydroxypropoxymethyl)-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
Molecular FormulaC63H112O42
Molecular Weight1541.5
XLogP-13
Topological Polar Surface Area619
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count42
Rotatable Bond Count28
Heavy Atom Count105
Formal Charge0
Complexity2010
SMILES
CC(COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O
InChI
InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/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-,57-,58-,59-,60-,61-,62-,63-/m1/s1
InChIKey
ODLHGICHYURWBS-LKONHMLTSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxypropyl-Beta-Cyclodextrin
CAS: 107745-73-3
CID: 14049689
Formula: C63H112O42
MW: 1541.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1541.5
XLogP3-13
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count42
Rotatable Bond Count28
Exact Mass1540.6628176
Monoisotopic Mass1540.6628176
Topological Polar Surface Area619 Ų
Heavy Atom Count105
Formal Charge0
Complexity2010
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
C7070-01(2-HYDROXYPROPYL) -BETA-CYCLODEXTRIN, Hydroxypropyl-Beta-Cyclodextrin
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MBS5777273Hydroxypropyl-beta-cyclodextrin
C8475-11-01β-Cyclodextrin, Hydroxypropyl (Hydroxypropyl-ß-cyclodextrin)
MBS387012-01(2-Hydroxypropyl)-beta-cyclodextrin
44405595-25g2-Hydroxypropyl-beta-cyclodextrin
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BICY1076-01(2-Hydroxypropyl) -beta-cyclodextrin
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