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5-Carboxycytosine

5-Carboxycytosine structure

CAS No:
3650-93-9
Formula:
C5H5N3O3
Chemical Name:
5-Carboxycytosine
Synonyms:
5-Pyrimidinecarboxylic acid,6-amino-1,2-dihydro-2-oxo-;5-Pyrimidinecarboxylic acid,4-amino-1,2-dihydro-2-oxo-;6-Amino-1,2-dihydro-2-oxo-5-pyrimidinecarboxylic acid;5-Carboxycytosine;Cytosine-5-carboxylic acid;NSC 9309;5caC;5-Carboxylcytosine;50271-93-7
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

ChEBI: A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group.

5-carboxycytosine is a nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group. It has a role as a metabolite. It is an aminopyrimidine, a nucleobase analogue, a pyrimidone and an aromatic carboxylic acid. It derives from a cytosine.

5-Carboxycytosine Basic Attributes

Molecular Weight：

155.11

Exact Mass：

155.11

EC Number：

222-890-1

UNII：

760CU98B9K

NSC Number：

9309

DSSTox ID：

DTXSID70190003

HScode：

2933599090

Characteristics

PSA：

105

XLogP3：

0.04380

Density：

1.88g/cm3

Melting Point：

256-257 °C

Refractive Index：

1.75

Safety Information

Hazard category：

IRRITANT

Drug Information

MeSH Entry Terms：

5-carboxycytosine

Computed Properties

Molecular Weight:155.11
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:155.03309103
Monoisotopic Mass:155.03309103
Topological Polar Surface Area:105
Heavy Atom Count:11
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetic acid

Benzene

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3650-93-9 6-amino-2-oxo-1H-pyrimidine-5-carboxylic acid

CAS No.: 3650-93-9

Grade: Industrial Grade

Content: 95%

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