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Home > Encyclopedia > (2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester

(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester

(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester structure

(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester 

structure
  • CAS No:

    224044-68-2

  • Formula:

    C25H27NO15

  • Chemical Name:

    (2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester

  • Synonyms:

    (2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester;FT-0673007;DTXSID60472966;ZINC77311891;(E)-4-[2-Nitro-3-[(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic acid methyl ester;methyl (E)-4-[2-nitro-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-4-oxobut-2-enoate

(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester Basic Attributes

581.47958

581.138

DTXSID60472966

Characteristics

213

1.1

(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester Use and Manufacturing

Used in the preparation of human UV filters.

Computed Properties

Molecular Weight:581.5
XLogP3:1.1
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:15
Exact Mass:581.13806915
Monoisotopic Mass:581.13806915
Topological Polar Surface Area:213
Heavy Atom Count:41
Complexity:1050
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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