CAS 150439-90-0 | Cytidine, 3,6-dihydro-6-oxo- (9CI) | CAS Number 150439-90-0

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150439-90-0 | Cytidine, 3,6-dihydro-6-oxo- (9CI)

CAS No: 150439-90-0 Catalog No: AG001MLZ MDL No:

Product Description

Catalog Number:

AG001MLZ

Chemical Name:

Cytidine, 3,6-dihydro-6-oxo- (9CI)

CAS Number:

150439-90-0

Molecular Formula:

C9H13N3O6

Molecular Weight:

259.2160

IUPAC Name:

6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione

InChI:

InChI=1S/C9H13N3O6/c10-4-1-5(14)12(9(17)11-4)8-7(16)6(15)3(2-13)18-8/h1,3,6-8,13,15-16H,2,10H2,(H,11,17)/t3-,6-,7-,8-/m1/s1

InChI Key:

ROTWXLHBETVAFW-YXZULKJRSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=O)cc([nH]c1=O)N

Properties

Complexity:

411

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.218g/mol

Monoisotopic Mass:

259.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

145A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.8

Literature

Title	Journal
Disruption of HIV-1 integrase-DNA complexes by short 6-oxocytosine-containing oligonucleotides.	Biochemistry 20020205
6-oxocytidine containing oligonucleotides inhibit the HIV-1 integrase in vitro.	Nucleosides, nucleotides & nucleic acids 20010101