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Home > Encyclopedia > 5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid

5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid

5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid structure

5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid 

structure
  • CAS No:

    68413-52-5

  • Formula:

    C32H21ClF2N6O11S3

  • Chemical Name:

    5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid

  • Synonyms:

    2,7-Naphthalenedisulfonic acid,5-(benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-;2,7-Naphthalenedisulfonic acid,5-(benzoylamino)-3-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-4-hydroxy-;5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid;1427309-17-8

5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid Basic Attributes

835.1875464

835.19

270-224-3

Characteristics

297

4.9

1.79±0.1 g/cm3(Predicted)

5-(Benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid Use and Manufacturing

2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-: INACTIVE

Computed Properties

Molecular Weight:835.2
XLogP3:5.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:834.0087030
Monoisotopic Mass:834.0087030
Topological Polar Surface Area:300
Heavy Atom Count:55
Complexity:1730
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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