5-Iodocytosine - CAS 1122-44-7

Name: 5-Iodocytosine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002907
Product Name:	5-Iodocytosine
CAS:	1122-44-7
Synonyms:	6-amino-5-iodo-1H-pyrimidin-2-one; 6-amino-5-iodo-1H-pyrimidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-amino-5-iodo-1H-pyrimidin-2-one
Description:	5-Iodocytosine (CAS# 1122-44-7) is an iodinated nucleobase for peptide modified nucleic acids.
Molecular Weight:	237.00
Molecular Formula:	C4H4IN3O
Canonical SMILES:	C1=NC(=O)NC(=C1I)N
InChI:	InChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChI Key:	UFVWJVAMULFOMC-UHFFFAOYSA-N
Boiling Point:	480.2 °C at 760 mmHg
Density:	2.65 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD00023162
LogP:	0.53790

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021204175-A1	Lipid nanoparticle composition	20200409
WO-2021204179-A1	Nucleic acid vaccines for coronavirus	20200409
WO-2021187392-A1	Heteronucleic acid containing morpholino nucleic acid	20200316
WO-2021183921-A1	A rapid diagnostic test for lamp	20200312
WO-2021119594-A1	Reducing antibiotic resistance in bacteria using pro-active genetics	20191213

PMID	Publication Date	Title	Journal
22337599	20120326	Synthesis of aldehyde-linked nucleotides and DNA and their bioconjugations with lysine and peptides through reductive amination	Chemistry (Weinheim an der Bergstrasse, Germany)
21472803	20110516	Alkylsulfanylphenyl derivatives of cytosine and 7-deazaadenine nucleosides, nucleotides and nucleoside triphosphates: synthesis, polymerase incorporation to DNA and electrochemical study	Chemistry (Weinheim an der Bergstrasse, Germany)
20812704	20101020	Structural basis for cyclic Py-Im polyamide allosteric inhibition of nuclear receptor binding	Journal of the American Chemical Society
19324560	20090701	Radiosynthesis of F-18 labeled cytidine analog 2'-fluoro-5-iodo-l-beta-d-arabinofuranosylcytosine ([(18)F]FIAC)	Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine
19220460	20090301	Mouse RS21-C6 is a mammalian 2'-deoxycytidine 5'-triphosphate pyrophosphohydrolase that prefers 5-iodocytosine	The FEBS journal

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.93991
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.93991
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5