Name: Name:2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-b-D-arabinofuranosyl)-
Brand: Angene
SKU: AG00IC3K
Rating: 90 (10 reviews)

2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-b-D-arabinofuranosyl)-

CAS No.:

7075-11-8

Catalog Number:

AG00IC3K

Molecular Formula:

C9H14N3O8P

Molecular Weight:

323.1965

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Product Description

Catalog Number:

AG00IC3K

Chemical Name:

2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-b-D-arabinofuranosyl)-

CAS Number:

7075-11-8

Molecular Formula:

C9H14N3O8P

Molecular Weight:

323.1965

MDL Number:

MFCD00069771

IUPAC Name:

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

InChI:

InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1

InChI Key:

IERHLVCPSMICTF-CCXZUQQUSA-N

SMILES:

O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)(O)O

UNII:

Y73692GHI4

Properties

Complexity:

531

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.052g/mol

Formal Charge:

Heavy Atom Count:

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Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.198g/mol

Monoisotopic Mass:

323.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

175A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.4

Literature

Title	Journal
Synthesis and characterization of a novel liver-targeted prodrug of cytosine-1-beta-D-arabinofuranoside monophosphate for the treatment of hepatocellular carcinoma.	Journal of medicinal chemistry 20061228
Assessment of the effect of phosphorylated metabolites of anti-human immunodeficiency virus and anti-hepatitis B virus pyrimidine analogs on the behavior of human deoxycytidylate deaminase.	Molecular pharmacology 20030101
Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.	Journal of molecular biology 20020201

Properties