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Kigamicin A

CAT: 0931-TN11071-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11071-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
680571-49-7
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Kigamicin A exhibits activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA), with a minimum inhibitory concentration (MIC) ranging from 0.025 to 0.78 μg/mL.
Smiles
OC1=C2C3=C(C4=C1C(=O)C5=C(O4)[C@@H](O)[C@H](O[C@@H]6O[C@H](C)[C@@H](O)CC6)C[C@@H]5O)OCO[C@@]3(CC=7C2=C(O)C8=C(C7)C[C@]9(C)N(C8=O)CCO9)[H]
Molecular Formula
C34H35NO13
Molecular Weight
665.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kigamicin A

Kigamicin A is a member of xanthones.

CAS Number680571-49-7
PubChem CID10327079
IUPAC Name2,6,9,30-tetrahydroxy-8-(5-hydroxy-6-methyloxan-2-yl)oxy-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione
Molecular FormulaC34H35NO13
Molecular Weight665.6
XLogP1.3
Topological Polar Surface Area194
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count48
Formal Charge0
Complexity1380
SMILES
CC1C(CCC(O1)OC2CC(C3=C(C2O)OC4=C5C6=C(C7=C(C8=C(CC9(N(C8=O)CCO9)C)C=C7CC6OCO5)O)C(=C4C3=O)O)O)O
InChI
InChI=1S/C34H35NO13/c1-12-15(36)3-4-19(46-12)47-18-9-16(37)22-28(40)25-29(41)24-20-13(7-14-10-34(2)35(5-6-45-34)33(42)21(14)27(20)39)8-17-23(24)31(44-11-43-17)32(25)48-30(22)26(18)38/h7,12,15-19,26,36-39,41H,3-6,8-11H2,1-2H3
InChIKey
SERZVTAEVZZGKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kigamicin A
CAS: 680571-49-7
CID: 10327079
Formula: C34H35NO13
MW: 665.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.6
XLogP31.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass665.21084017
Monoisotopic Mass665.21084017
Topological Polar Surface Area194 Ų
Heavy Atom Count48
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
K1765-25Kigamicin C
HY-N14470Kigamicin A
GTR19255352-01Kigamicin B
HY-N14484Kigamicin D

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