3'-Deoxycytidine

Basic Information

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CAS Number

7057-33-2

Molecular Formula

C9H13N3O4

Molecular Weight

227.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

230-232 ºC

Boiling Point

497.6 °C at 760 mmHg

Density

1.73±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

254.8 °C

Refractive Index

1.719

SMILES

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C1C(OC(C1O)N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1

InChIKey

ZHHOTKZTEUZTHX-SHYZEUOFSA-N

LogP

-1.5338000000000005

Topological Polar Surface Area

110.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

355

Synonyms & References

English

3'-Deoxycytidine
BRN 0616742
SCHEMBL98549
CHEMBL368341
MFCD00079144
ZHHOTKZTEUZTHX-SHYZEUOFSA-N
AKOS015917945
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
DTXSID80990793
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
BRD-K79353080-001-01-5
Cytidine, 3'-deoxy-
4-Amino-1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
1-(3-Deoxypentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol
F11003
AC-32253
7057-33-2
J-700358
3'-Deoxy-D-cytidine
3-DEOXYCYTIDINE
3'-deoxy-cytidine
3'-deoxycytidine free base
3'-deoxyribicytidine

MDL Number

MFCD00079144

FAQ

What are the physical and chemical properties of 3'-Deoxycytidine (CAS: 7057-33-2)?

3'-Deoxycytidine (CAS: 7057-33-2) is a white or off-white crystalline compound with a molecular weight of approximately 232.22 g/mol. It is slightly soluble in water and ethanol. The compound is relatively stable under normal conditions but can be susceptible to hydrolysis under acidic or basic conditions. It is also reactive towards nucleophilic substitution at the 3'-position.

How is 3'-Deoxycytidine (CAS: 7057-33-2) typically synthesized?

3'-Deoxycytidine is typically synthesized via nucleobase modification of cytidine. A common method involves the use of a deoxycytidine-5'-monophosphate derivative as a starting material. The synthesis often employs catalytic amounts of a suitable base, such as sodium hydride, to facilitate the deoxygenation at the 3'-position. The yield and selectivity can be optimized through careful control of reaction conditions.

What industries use 3'-Deoxycytidine (CAS: 7057-33-2)?

3'-Deoxycytidine (CAS: 7057-33-2) finds applications in pharmaceuticals, particularly in the development of antiviral drugs. It is also utilized in the synthesis of nucleoside analogs for polymerase chain reaction (PCR) applications and in the production of certain types of sensors and semiconductors.

What precautions should be taken when handling 3'-Deoxycytidine (CAS: 7057-33-2)?

Proper handling of 3'-Deoxycytidine (CAS: 7057-33-2) requires the use of personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from heat sources and incompatible materials. If a spill occurs, it should be immediately cleaned up under a fume hood. Always refer to the safety data sheet (SDS) for specific handling instructions and emergency procedures.