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Kinamycin B

CAT: 0931-T25581-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25581-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35303-13-0
Target
Others, Antifungal, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Kinamycin B is an antibacterial agent with anticancer activity.
Smiles
OC1C=2C3=C(C(=[N+]=[N-])C2C(O)C(OC(C)=O)(C)C1O)C(=O)C=4C(C3=O)=CC=CC4O
Molecular Formula
C20H16N2O8
Molecular Weight
412.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kinamycin B

Kinamycin B is a kinamycin.

CAS Number35303-13-0
PubChem CID135474648
IUPAC Name[(1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-2-yl] acetate
Molecular FormulaC20H16N2O8
Molecular Weight412.3
XLogP-0.6
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity991
SMILES
CC(=O)O[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=[N+]=[N-])C3=C2C(=O)C4=C(C3=O)C(=CC=C4)O)O)O)C
InChI
InChI=1S/C20H16N2O8/c1-6(23)30-20(2)18(28)13-11(17(27)19(20)29)10-12(14(13)22-21)16(26)9-7(15(10)25)4-3-5-8(9)24/h3-5,17-19,24,27-29H,1-2H3/t17-,18+,19+,20+/m0/s1
InChIKey
UZCOWBDCSCNWHJ-MTQWCTHYSA-N
Chemical Structure
2D Structure
2D structure of Kinamycin B
CAS: 35303-13-0
CID: 135474648
Formula: C20H16N2O8
MW: 412.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.3
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass412.09066547
Monoisotopic Mass412.09066547
Topological Polar Surface Area143 Ų
Heavy Atom Count30
Formal Charge0
Complexity991
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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