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4494-26-2

Basic Information
CAS No.: 4494-26-2
Name: 5-formyl-2'-deoxyuridine
Article Data: 21
Molecular Structure:
Molecular Structure of 4494-26-2 (5-formyl-2'-deoxyuridine)
Formula: C10H12 N2 O6
Molecular Weight: 256.215
Synonyms: 5-Pyrimidinecarboxaldehyde,1-(2-deoxy-b-D-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-(7CI,8CI); 5-Pyrimidinecarboxaldehyde, 1-(2-deoxy-b-D-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo- (6CI);2'-Deoxy-5-formyluridine; 5-Formyl-2'-deoxyuridine; NSC 148297
Density: 1.67g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 121.62000
LogP: -2.01020
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Chemistry

Product Name: 5-Formyl-2'-deoxyuridine (CAS NO.4494-26-2)


Molecular Formula: C10H12N2O6
Molecular Weight: 256.24g/mol
Mol File: 4494-26-2.mol
Density: 1.67g/cm3
Surface Tension: 93.9 dyne/cm
Vapour Pressure: -1.9
XLogP3-AA: 3
H-Bond Donor: 6
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,
4-dioxopyrimidine-5-carbaldehyde
Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C=O)CO)O
InChI: InChI=1S/C10H12N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/
h2-3,6-8,14-15H,1,4H2,(H,11,16,17) 
InChIKey: MVORBLZUGBSUNB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 1 µmol/plate

    MUREAV    Mutation Research. 283 (1992),145.
2.    

sce-hmn-lng 500 µg/

    MUREAV    Mutation Research. 117 (1983),317.
3.    

dnd-esc 0.05 mmol/L/22H

    MUREAV    Mutation Research. 476 (2001),99.
4.    

sce-esc 0.05 mmol/L/22H

    MUREAV    Mutation Research. 476 (2001),99.
5.    

dnd-ham-fbr 0.03 mmol/L/3D

    TOLED5    Toxicology Letters. 119 (2001),71.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 5-Formyl-2'-deoxyuridine ,its CAS NO. is 4494-26-2,the synonyms is 1,2,3,4-Tetrahydro-1-(2-deoxy-beta-D-ribofuranosyl)-2,4-
dioxo-5-pyrimidinecarboxaldehyde ; CCRIS 6343 ; NSC 148297 ; Uridine, 2'-deoxy-5-formyl- ; 5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-1-(2-deoxy-beta-D-ribofuranosyl)-2,4-dioxo- .