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Naphthomycin A

CAT: 0931-TN11339-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11339-01Size:10 mg
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CAS Number
55557-40-9
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Naphthomycin A exhibits activity against Gram-positive bacteria and fungi, and it also inhibits the synthesis of fatty acids in Escherichia coli (E. coli) .
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Naphthomycin A

Naphthomycin A is a keratan 6'-sulfate and an azamacrocycle.

CAS Number55557-40-9
PubChem CID10101379
IUPAC Name(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
Molecular FormulaC40H46ClNO9
Molecular Weight720.2
XLogP6.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count51
Formal Charge0
Complexity1600
SMILES
C[C@H]1/C=C/C=C\C=C(/C(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)/C(=C/[C@@H]([C@H]([C@H](/C=C/[C@H](C/C=C(/C(=O)C[C@@H]1O)\C)O)C)O)C)/C)O)C)Cl)\C
InChI
InChI=1S/C40H46ClNO9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19H2,1-7H3,(H,42,51)/b10-8-,11-9+,16-14+,21-13+,23-12-,25-17+/t20-,22-,24-,27-,29-,35-/m0/s1
InChIKey
AXEGRHYJHHPVDH-UMKVKWLOSA-N
Chemical Structure
2D Structure
2D structure of Naphthomycin A
CAS: 55557-40-9
CID: 10101379
Formula: C40H46ClNO9
MW: 720.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight720.2
XLogP36.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass719.2861097
Monoisotopic Mass719.2861097
Topological Polar Surface Area178 Ų
Heavy Atom Count51
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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