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51596-10-2

51596-10-2 structural image
Product Name: MILBEMECTIN A3
Formula: C31H44O7
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White, crystalline powder (Technical grade)
Melting Point 212-215 °C
Flash Point 43 °C (Closed cup) /Ultiflora Miticide/
Solubility Milbemycin A3: In methanol 64.8, ethanol 41.9, acetone 66.1, n-hexane 1.4, benzene 143.1, ethyl acetate 69.5 (all in g/L, 20 °C). Milbemycin A4: In methanol 458.8, ethanol 234.0, acetone 365.3, n-hexane 6.5, benzene 524.2, ethyl acetate 320.4 (all in g/L, 20 °C).
Density 1.1270 (Milbemycin A3); 1.1265 (Milbemycin A4), both at 25 °C
Vapor Pressure 9.8X10-11 mm Hg at 20 °C
LogP log Kow = 5.3 (Milbemycin A3); log Kow = 5.9 (Milbemycin A4)

COMPUTED DESCRIPTORS

Molecular Weight 528.7 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 0
Exact Mass 528.30870374 g/mol
Monoisotopic Mass 528.30870374 g/mol
Topological Polar Surface Area 94.4 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1040
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Milbemycin A3 is a milbemycin.