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26048-05-5

26048-05-5 structural image
Product Name: BEAUVERICIN
Formula: C45H57N3O9
Synonyms: cyclo(D-α-Hydroxyisovaleryl-L-N-methyl-Phe)3
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 269 Ų [M+NH4]+ [CCS Type: TW, Method: calibrated with polyalanine]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 783.9 g/mol
XLogP3 8.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 783.40948040 g/mol
Monoisotopic Mass 783.40948040 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1200
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Beauvericin is a trimeric cyclodepsipeptide composed from alternating methylphenylalanyl and hydroxyvaleryl residues. It has a role as a mycotoxin, an antibiotic insecticide, an apoptosis inhibitor, a fungal metabolite, an ionophore, an antifungal agent, a P450 inhibitor and an antineoplastic agent.