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Beta-Rubromycin

CAT: 0498-bs-75713C-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75713C-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27267-70-5
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO or chloroform.
Smiles
COC(=O)C1=CC2=CC3=C(O[C@@]4(CC5=C(O4)C(=O)C4=C(O)C(OC)=CC(OC)=C4C5=O)CC3)C(O)=C2C(=O)O1
Molecular Formula
C27H20O12
Molecular Weight
536.4
Storage Conditions
Stable for 1 year after receipt when stored at -20°C. After reconstitution protect from light at -20°C.
Appearance
Dark blue solid.

Chemical Information

beta-Rubromycin

Beta-Rubromycin is a member of chromenes.

CAS Number27267-70-5
PubChem CID5464074
IUPAC Namemethyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Molecular FormulaC27H20O12
Molecular Weight536.4
XLogP4.1
Topological Polar Surface Area164
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity1170
SMILES
COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)O[C@]4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC
InChI
InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
InChIKey
FXCBZGHGMRSWJD-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of beta-Rubromycin
CAS: 27267-70-5
CID: 5464074
Formula: C27H20O12
MW: 536.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass536.09547607
Monoisotopic Mass536.09547607
Topological Polar Surface Area164 Ų
Heavy Atom Count39
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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