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1402-68-2

1402-68-2 structural image
Product Name: Aflatoxin
Formula: C17H14O6.C17H14O7.C17H12O6.C17H12O7
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; Exhibits green fluorescence; [Merck Index] Yellow solid; [MSDSonline]
Color/Form Crystals ... exhibits green fluorescence
Melting Point 245 °C
Stability/Shelf Life Aflatoxins B1, B2, G1, & G2 in water or chloroform solutions or in solid films were decomposed by UV irridiation.
Optical Rotation Specific optical rotation (chloroform): -556 deg at 25 °C/D
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Collision Cross Section 164 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]
Other Experimental Properties Aflatoxins are densely fluorescent; the B refers to blue, while the G signifies green fluorescence. /Aflatoxins/
Chemical Classes Biological Agents -> Mycotoxins

COMPUTED DESCRIPTORS

Molecular Weight 328.27 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 328.05830272 g/mol
Monoisotopic Mass 328.05830272 g/mol
Topological Polar Surface Area 80.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 666
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aflatoxin G is a member of coumarins.