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1-Hydroxyoxaunomycin

CAT: 0013-GTR19255468-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255468-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Hydroxyoxaunomycin is an antibiotic that inhibits the growth of U210 cells as well as the synthesis of DNA and RNA, with IC50 values of 0.0005 μg/mL, 1.00 μg/mL, and 0.76 μg/mL, respectively.
CAS Number
145165-10-2
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
O=C1C=2C (O) =CC=C (O) C2C (=O) C=3C (O) =C4C (=C (O) C13) C (O) C (O) (CC) CC4OC5OC (C) C (O) C (N) C5
Molecular Formula
C26H29NO11
Molecular Weight
531.509
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Hydroxyoxaunomycin

structure given in first source

CAS Number145165-10-2
PubChem CID126852
IUPAC Name7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC26H29NO11
Molecular Weight531.5
XLogP0.7
Topological Polar Surface Area220
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity935
SMILES
CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N)O
InChI
InChI=1S/C26H29NO11/c1-3-26(36)7-12(38-13-6-9(27)20(30)8(2)37-13)16-19(25(26)35)24(34)18-17(23(16)33)21(31)14-10(28)4-5-11(29)15(14)22(18)32/h4-5,8-9,12-13,20,25,28-30,33-36H,3,6-7,27H2,1-2H3
InChIKey
UZVYYCCZQKTPPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxyoxaunomycin
CAS: 145165-10-2
CID: 126852
Formula: C26H29NO11
MW: 531.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.5
XLogP30.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass531.17406074
Monoisotopic Mass531.17406074
Topological Polar Surface Area220 Ų
Heavy Atom Count38
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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