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Kinamycin A

CAT: 0013-GTR19254559-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254559-02Size:50 mg
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Description
Kinamycin A possesses antibacterial and antimycobacterial properties, yet it exhibits reduced efficacy against Gram-negative bacteria.
CAS Number
35303-12-9
Field of Research
Infectious Disease & Virology
Smiles
O (C (C) =O) [C@@H]1C2=C (C3=C (C2=[N+]=[N-]) C (=O) C=4C (C3=O) =CC=CC4O) [C@H] (O) [C@@H] (OC (C) =O) [C@@]1 (OC (C) =O) C
Molecular Formula
C24H20N2O10
Molecular Weight
496.423
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kinamycin A

Kinamycin A is a kinamycin.

CAS Number35303-12-9
PubChem CID135514621
IUPAC Name[(1R,2R,3R,4S)-1,2-diacetyloxy-11-diazo-4,9-dihydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-3-yl] acetate
Molecular FormulaC24H20N2O10
Molecular Weight496.4
XLogP0.5
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity1210
SMILES
CC(=O)O[C@@H]1[C@H](C2=C([C@H]([C@@]1(C)OC(=O)C)OC(=O)C)C(=[N+]=[N-])C3=C2C(=O)C4=C(C3=O)C(=CC=C4)O)O
InChI
InChI=1S/C24H20N2O10/c1-8(27)34-22-17-15(21(33)23(35-9(2)28)24(22,4)36-10(3)29)14-16(18(17)26-25)20(32)13-11(19(14)31)6-5-7-12(13)30/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1
InChIKey
JIYPIUWXCOFASH-OLKYXYMISA-N
Chemical Structure
2D Structure
2D structure of Kinamycin A
CAS: 35303-12-9
CID: 135514621
Formula: C24H20N2O10
MW: 496.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.4
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass496.11179484
Monoisotopic Mass496.11179484
Topological Polar Surface Area156 Ų
Heavy Atom Count36
Formal Charge0
Complexity1210
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

Alternative Products

CatalogName
TN9849-01Kinamycin A
HY-125058Kinamycin C
T25581-01Kinamycin B

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