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Home > Encyclopedia > (2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid

(2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid

(2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid structure

(2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid 

structure
  • CAS No:

    143234-78-0

  • Formula:

    C21H24N6O6

  • Chemical Name:

    (2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid

  • Synonyms:

    5,10-Methylenetetrahydro-5-deazafolic acid; 5,10-CH2-TH5DF; cis-5,10-methylenetetrahydro-5-deazafolic acid;

  • Categories:

    Dyes and Pigments  >  Pigment

(2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid Basic Attributes

456.45200

456.17573251

Characteristics

191.73000

0.98170

1.71g/cm3

1.785

Drug Information

5,10-CH2-TH5DF

Computed Properties

Molecular Weight:456.5
XLogP3:-0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:456.17573251
Monoisotopic Mass:456.17573251
Topological Polar Surface Area:186
Heavy Atom Count:33
Complexity:909
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S)-2-[[4-(3-amino-1-oxo-5,6,6a,7,9,9a-hexahydro-4H-pyrrolo[1,2]pyrido[4,5-b]pyrimidin-8-yl)benzoyl]amino]pentanedioic acid

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