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Purpuromycin

CAT: 0498-bs-75162C-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75162C-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53969-01-0
Conjugation
Unconjugated
Purity
>95% (HPLC)
Buffer
Powder
Solubility
Soluble in DMSO, aqueous acetonitrile or ethanol.
Smiles
O[C@H]1C[C@@]2(OC3=C(O)C(C(OC(C(OC)=O)=C4)=O)=C4C=C13)CC5=C(O)C(C(C=C(OC)C6=O)=O)=C6C(O)=C5O2
Molecular Formula
C26H18O13
Molecular Weight
538.4
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
Red powder.

Chemical Information

Purpuromycin

Purpuromycin is a member of chromenes.

CAS Number53969-01-0
PubChem CID162816413
IUPAC Namemethyl (2R,4S)-4,5',8',10-tetrahydroxy-7'-methoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Molecular FormulaC26H18O13
Molecular Weight538.4
XLogP3.2
Topological Polar Surface Area195
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Heavy Atom Count39
Formal Charge0
Complexity1190
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C2=O)O[C@]4(C3)C[C@@H](C5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)O
InChI
InChI=1S/C26H18O13/c1-35-13-5-11(27)16-17(19(13)30)21(32)23-10(18(16)29)6-26(39-23)7-12(28)9-3-8-4-14(24(33)36-2)37-25(34)15(8)20(31)22(9)38-26/h3-5,12,27-28,30-31H,6-7H2,1-2H3/t12-,26+/m0/s1
InChIKey
DJICBKSAAXLOMR-GWQKEKGPSA-N
Chemical Structure
2D Structure
2D structure of Purpuromycin
CAS: 53969-01-0
CID: 162816413
Formula: C26H18O13
MW: 538.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.4
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Exact Mass538.07474062
Monoisotopic Mass538.07474062
Topological Polar Surface Area195 Ų
Heavy Atom Count39
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GW8852-25mgPurpuromycin

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