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Fujianmycin A

CAT: 0931-TN10418-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10418-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96695-57-7
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Fujianmycin A exhibits activity against Bacillus subtilis (hay bacillus) .
Smiles
O=C1C=2C3=C(C=CC2C(=O)C=4C1=CC=CC4O)[C@@H](O)[C@H](C)CC3=O
Molecular Formula
C19H14O5
Molecular Weight
322.311
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fujianmycin A

Fujianmycin A is an angucycline.

CAS Number96695-57-7
PubChem CID126037
IUPAC Name(3S,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Molecular FormulaC19H14O5
Molecular Weight322.3
XLogP2.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity584
SMILES
C[C@H]1CC(=O)C2=C([C@@H]1O)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)O
InChI
InChI=1S/C19H14O5/c1-8-7-13(21)14-10(17(8)22)5-6-11-16(14)19(24)9-3-2-4-12(20)15(9)18(11)23/h2-6,8,17,20,22H,7H2,1H3/t8-,17+/m0/s1
InChIKey
WWVNIBVFNYKUQY-WNWIJWBNSA-N
Chemical Structure
2D Structure
2D structure of Fujianmycin A
CAS: 96695-57-7
CID: 126037
Formula: C19H14O5
MW: 322.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.3
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass322.08412354
Monoisotopic Mass322.08412354
Topological Polar Surface Area91.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14432Fujianmycin A
GTR19255703-01Fujianmycin B

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