Ezomycin A2

CAT: 0931-TN10135-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10135-02Size:50 mg

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CAS Number

54328-22-2

Target

Antibiotic, Antifungal

Related Pathways

Microbiology/Virology

Bioactivity

Ezomycin A2 is an antifungal antibiotic. It is primarily effective against plant pathogens such as Sclerotinia and Botrytis, showing efficacy in controlling crop diseases like sclerotinia rot, botrytis blight, and candidiasis.

Smiles

N(C(N)=O)[C@H]1[C@@]2([C@]([C@@H](O)[C@@H](O2)N3C(=O)N=C(N)C=C3)(O[C@H](C(O)=O)[C@@H]1O[C@@H]4O[C@H](C(O)=O)C[C@H](N)[C@H]4O)[H])[H]

Molecular Formula

C19H26N6O12

Molecular Weight

530.443

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ezomycin A2

CAS Number	54328-22-2
PubChem CID	134848807
IUPAC Name	(2R,3R,3aS,5S,6R,7S,7aR)-6-[(2R,3R,4S,6S)-4-amino-6-carboxy-3-hydroxyoxan-2-yl]oxy-2-(4-amino-2-oxopyrimidin-1-yl)-7-(carbamoylamino)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
Molecular Formula	C19H26N6O12
Molecular Weight	530.4
XLogP	-7.8
Topological Polar Surface Area	292
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	1020

SMILES

C1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O[C@@H]2[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O[C@@H]2C(=O)O)NC(=O)N)O)N

InChI

InChI=1S/C19H26N6O12/c20-4-3-5(15(28)29)34-17(8(4)26)37-11-7(24-18(22)32)10-12(35-13(11)16(30)31)9(27)14(36-10)25-2-1-6(21)23-19(25)33/h1-2,4-5,7-14,17,26-27H,3,20H2,(H,28,29)(H,30,31)(H2,21,23,33)(H3,22,24,32)/t4-,5-,7-,8+,9+,10+,11+,12-,13-,14+,17-/m0/s1

InChIKey

VYWQXSLVJADWLT-ZPVBZINCSA-N

Chemical Structure

2D Structure

CAS: 54328-22-2

CID: 134848807

Formula: C19H26N6O12

MW: 530.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	530.4
XLogP3	-7.8
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	530.16087029
Monoisotopic Mass	530.16087029
Topological Polar Surface Area	292 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-N14283	Ezomycin D2
GTR19256191-01	Ezomycin A1
HY-N14282	Ezomycin B2
HY-N14269	Ezomycin A2

Ezomycin A2

Chemical Information

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