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Plicacetin

CAT: 0013-GTR19266008-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266008-02Size:50 mg
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Description
Plicacetin is a crystalline antibiotic that can be isolated from the fermentation broth of actinobacteria (Streptomyces), and it has a structure similar to Amicetin and Bamicetin.
CAS Number
43043-15-8
Field of Research
Infectious Disease & Virology
Smiles
O=C1N (C=CC (NC (=O) C2=CC=C (N) C=C2) =N1) [C@@H]3O[C@H] (C) [C@@H] (O[C@@H]4[C@H] (O) [C@@H] (O) [C@H] (N (C) C) [C@@H] (C) O4) CC3
Molecular Formula
C25H35N5O7
Molecular Weight
517.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Plicacetin

Plicacetin has been reported in Streptomyces rochei and Streptomyces vinaceusdrappus with data available.

CAS Number43043-15-8
PubChem CID206175
IUPAC Name4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC25H35N5O7
Molecular Weight517.6
XLogP0
Topological Polar Surface Area159
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity891
SMILES
CC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)N)OC4C(C(C(C(O4)C)N(C)C)O)O
InChI
InChI=1S/C25H35N5O7/c1-13-17(37-24-22(32)21(31)20(29(3)4)14(2)36-24)9-10-19(35-13)30-12-11-18(28-25(30)34)27-23(33)15-5-7-16(26)8-6-15/h5-8,11-14,17,19-22,24,31-32H,9-10,26H2,1-4H3,(H,27,28,33,34)
InChIKey
NFOMJDXALJABQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Plicacetin
CAS: 43043-15-8
CID: 206175
Formula: C25H35N5O7
MW: 517.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.6
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass517.25364847
Monoisotopic Mass517.25364847
Topological Polar Surface Area159 Ų
Heavy Atom Count37
Formal Charge0
Complexity891
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
HY-N7242Plicacetin

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