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5-deazaisofolic acid

5-deazaisofolic acid structure

CAS No:
130327-67-2
Formula:
C20H20N6O6
Chemical Name:
5-deazaisofolic acid
Synonyms:
5-deazaisofolic acid;(4-(((2-amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl)amino)methyl)benzoyl)-L-glutamic acid;DTXSID90926684;(2S)-2-[[4-[[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid;N-(4-(((2-Amino-1,4-dihydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)amino)methyl)benzoyl)-L-glutamic acid;L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)amino)methyl)benzoyl)-;N-(4-{[(4-Hydroxy-2-imino-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl)amino]methyl}benzoyl)glutamic acid;N-[4-[[N-[(2-Amino-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin)-6-yl]amino]methyl]benzoyl]-L-glutamic acid
Categories:
Dyes and Pigments > Pigment

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5-deazaisofolic acid Basic Attributes

Molecular Weight：

440.4094

Exact Mass：

440.144

Characteristics

PSA：

196

XLogP3：

-0.4

Density：

1.61±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

5-deazaisofolic acid

Computed Properties

Molecular Weight:440.4
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:440.14443238
Monoisotopic Mass:440.14443238
Topological Polar Surface Area:196
Heavy Atom Count:32
Complexity:766
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes