5-Hydroxycytosine - CAS 13484-95-2

Catalog:	BB056218
Product Name:	5-Hydroxycytosine
CAS:	13484-95-2
Synonyms:	6-Amino-5-hydroxy-2(1H)-pyrimidinone; 4-Amino-5-hydroxy-2(1H)-pyrimidinone

Technical Data

IUPAC Name:	6-amino-5-hydroxy-1H-pyrimidin-2-one
Description:	5-Hydroxycytosine, is been identified as an anomalous base of phage H-17 DNA. It is also a monosubstituted cytosine, as nucleotide-base antimetabolite-type potential anticarcinogen.
Molecular Weight:	127.1
Molecular Formula:	C4H5N3O2
Canonical SMILES:	C1=NC(=O)NC(=C1O)N
InChI:	InChI=1S/C4H5N3O2/c5-3-2(8)1-6-4(9)7-3/h1,8H,(H3,5,6,7,9)
InChI Key:	NLLCDONDZDHLCI-UHFFFAOYSA-N
Melting Point:	>300°C
Solubility:	DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Sonicated)
Appearance:	Light Yellow to Beige Solid
Storage:	-20°C, Hygroscopic
References:	Khromov, I. S. Doklady Akademii Nauk SSSR, 240, 1486 (1978); Ladik, J., et al. Magyar Kemiai Folyoirat, 76, 589 (1970).

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	87.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3