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Aureonuclemycin

CAT: 0931-TN7636-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7636-01Size:10 mg
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CAS Number
123970-01-4
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Aureonuclemycin, isolated from Staphylococcus aureus to obtain its biosynthetic gene cluster, exists in two forms: Type A and Type B. Aureonuclemycin A is a nucleoside antibiotic structurally similar to herbicides and contains adenine, while Aureonuclemycin B contains 5′-deoxyadenosine and exhibits antibacterial activity. Aureonuclemycin can be used in research on bacterial leaf blight in rice, citrus canker, and bacterial leaf spot in rice. [1] [2]
Smiles
O[C@]12[C@@](C[C@@]3([C@](O1)([C@@H](O)[C@@H](O3)N4C=5C(N=C4)=C(N)N=CN5)[H])[H])(O[C@H](C(O)=O)[C@@H](O)[C@@H]2O)[H]
Molecular Formula
C16H19N5O9
Molecular Weight
425.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(6-Aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
CAS Number123970-01-4
PubChem CID180212
IUPAC Name5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
Molecular FormulaC16H19N5O9
Molecular Weight425.35
XLogP-3.2
Topological Polar Surface Area216
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity704
SMILES
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OC5(C1OC(C(C5O)O)C(=O)O)O
InChI
InChI=1S/C16H19N5O9/c17-12-6-13(19-2-18-12)21(3-20-6)14-8(23)9-4(28-14)1-5-16(27,30-9)11(24)7(22)10(29-5)15(25)26/h2-5,7-11,14,22-24,27H,1H2,(H,25,26)(H2,17,18,19)
InChIKey
OJKCJHCMNLAGNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(6-Aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
CAS: 123970-01-4
CID: 180212
Formula: C16H19N5O9
MW: 425.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.35
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass425.11827720
Monoisotopic Mass425.11827720
Topological Polar Surface Area216 Ų
Heavy Atom Count30
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19233714-01Aureonuclemycin

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