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Radicicol

CAT: 0498-bs-75023C-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75023C-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
12772-57-5
Conjugation
Unconjugated
Purity
>99% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, methanol, acetone, ethyl acetate or chloroform.
Smiles
[H][C@@]12C[C@@H](C)OC(=O)C3=C(O)C=C(O)C(Cl)=C3CC(=O)\C=C\C=C/[C@]1([H])O2
Molecular Formula
C18H17ClO6
Molecular Weight
364.8
Storage Conditions
Stable for 2 years after receipt when stored at -20°C. Store solutions at -20°C in the dark.
Appearance
White to slightly yellow solid.

Chemical Information

Radicicol

Radicicol is an antifungal macrolactone antibiotic, obtained from Diheterospora chlamydosporia and Chaetomium chiversii that inhibits protein tyrosine kinase and heat shock protein 90 (Hsp90). It has a role as a metabolite, an antifungal agent and a tyrosine kinase inhibitor. It is a macrolide antibiotic, an epoxide, a member of phenols, a cyclic ketone, an enone and a member of monochlorobenzenes.

CAS Number12772-57-5
PubChem CID6323491
IUPAC Name(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
Molecular FormulaC18H17ClO6
Molecular Weight364.8
XLogP3.4
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity588
SMILES
C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
InChI
InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
InChIKey
WYZWZEOGROVVHK-GTMNPGAYSA-N
Chemical Structure
2D Structure
2D structure of Radicicol
CAS: 12772-57-5
CID: 6323491
Formula: C18H17ClO6
MW: 364.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.8
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass364.0713660
Monoisotopic Mass364.0713660
Topological Polar Surface Area96.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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