5'-Chloro-5'-deoxyadenosine

Basic Information

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CAS Number

892-48-8

Molecular Formula

C10H12ClN5O3

Molecular Weight

285.69 g/mol

Chemical Classification

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

187 °C (exothermic decomp onset @144.5 C)

SMILES

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C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CCl)O)O)N

InChI

InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1

InChIKey

IYSNPOMTKFZDHZ-KQYNXXCUSA-N

LogP

-0.7335

Topological Polar Surface Area

119.31 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

338

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Adenosine,5'-chloro-5'-deoxy-
5'-Chloro-5'-deoxyadenosine
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
5'-Deoxy-5'-chloroadenosine
5′-Chloro-5′-deoxyadenosine (ACI)
5′-Deoxy-5′-chloroadenosine
(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol
5CD
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(iodomethyl)oxolane-3,4-diol
CHEBI:47133
(2R,3R,4S,5S)-2-(6-Aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
5-Deoxy-5-chloroadenosine
5'-Chloroadenosine
5'-deoxy-5'-chloroadenosine
Q27120769
ADENOSINE, 5'-CHLORO-5'-DEOXY-
C19768
PDSP1_001068
IYSNPOMTKFZDHZ-KQYNXXCUSA-N
DTXSID10875948
(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(chloromethyl) tetrahydrofuran-3,4-diol
CHEMBL404658
892-48-8
PDSP2_001052
MFCD00049038
5'-CIDA
CS-W000275
5'chloro-5'-deoxyadenosine
DS-8004
AKOS016023925

MDL Number

MFCD00049038

Customs Code

2934999090

FAQ

What is 5'-Chloro-5'-deoxyadenosine (CAS: 892-48-8)?

5'-Chloro-5'-deoxyadenosine (CAS 892-48-8) is a nucleoside derivative that contains a chlorinated adenine. It is used in research and as an intermediate in the synthesis of other compounds.

What are the main uses of 5'-Chloro-5'-deoxyadenosine (CAS: 892-48-8)?

5'-Chloro-5'-deoxyadenosine (CAS 892-48-8) is primarily used in research for studying nucleotide metabolism and as an intermediate in the synthesis of antiviral drugs.

Is 5'-Chloro-5'-deoxyadenosine (CAS: 892-48-8) safe?

5'-Chloro-5'-deoxyadenosine (CAS 892-48-8) is generally safe when handled with proper precautions. Users should wear appropriate personal protective equipment, such as gloves and safety goggles. Storage and use should be carried out in a well-ventilated area to avoid inhalation and skin contact.

How should 5'-Chloro-5'-deoxyadenosine (CAS: 892-48-8) be stored?

5'-Chloro-5'-deoxyadenosine (CAS 892-48-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Avoid contact with moisture and ensure proper ventilation during handling.