2-Oxo-3-hydroadenosine

Basic Information

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CAS Number

1818-71-9

Molecular Formula

C10H13N5O5

Molecular Weight

283.24 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

Physical State

Powder

Boiling Point

831℃/760mmHg

Density

2.3±0.1 g/cm3

Solubility

Methanol,Water,DMSO

SMILES

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C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N

InChI

InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1

InChIKey

MIKUYHXYGGJMLM-UUOKFMHZSA-N

LogP

-2.2743999999999995

Topological Polar Surface Area

159.76999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

544

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

Storage Conditions

2-8℃

Synonyms & References

English

UNII-6V7FTE1Z1V
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,9-dihydro-2H-purin-2-one
SCHEMBL2773634
Q27106249
1,2-Dihydro-2-oxoadenosine
9H-PURIN-2-OL, 6-AMINO-9-.BETA.-D-RIBOFURANOSYL-(6C
H5F
1818-71-9
9H-Purin-2-ol, 6-amino-9-beta-D-ribofuranosyl-
MFCD04971989
Crotonoside, >=95% (HPLC)
2-Oxo-3-hydroadenosine
Isoguanine, 9-.beta.-D-ribofuranosyl-
CCRIS 8240
AS-59704
Isoguanosine (VAN)
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-2-one
F12745
CHEMBL1688963
Isoguanine riboside
2-Oxoado (isoguanosine)
9-(b-D-Ribofuranosyl)isoguanine
2-Hydroxyadenosine
6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-2H-purin-2-one
CCG-267276
NSC 12161
CS-0007114
AC-33996
6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one
NS00066984
MIKUYHXYGGJMLM-UUOKFMHZSA-N

MDL Number

MFCD04971989

Customs Code

2934999090

FAQ

What is 2-Oxo-3-hydroadenosine (CAS: 1818-71-9)?

2-Oxo-3-hydroadenosine (CAS: 1818-71-9) is a nucleoside analog with the chemical formula C10H13N5O5. It features a pyrimidine ring fused to a ribose sugar, with a ketone group at the 2-position and a hydroxyl group at the 3-position. This compound is known for its structural similarity to adenosine, which influences its chemical properties and biological activity. It is primarily used in research settings to study nucleotide metabolism and enzyme interactions.

What are the main uses of 2-Oxo-3-hydroadenosine (CAS: 1818-71-9)?

2-Oxo-3-hydroadenosine (CAS: 1818-71-9) is mainly utilized in pharmaceutical research for investigating its potential as a therapeutic agent. It serves as a precursor in the synthesis of nucleoside derivatives and is studied for its role in metabolic pathways. Additionally, it is employed in biochemical studies to understand enzyme mechanisms and nucleic acid interactions. Its applications are limited to laboratory and research environments due to its specialized nature.

Is 2-Oxo-3-hydroadenosine (CAS: 1818-71-9) safe?

2-Oxo-3-hydroadenosine (CAS: 1818-71-9) is generally considered safe when handled properly in controlled laboratory conditions. However, as with any chemical, it requires adherence to standard safety protocols. Precautions include avoiding inhalation, skin contact, and ingestion, and using appropriate personal protective equipment (PPE). Safety data sheets (SDS) should be consulted for specific guidelines. While not classified as highly toxic, its safety depends on proper usage and storage.

How should 2-Oxo-3-hydroadenosine (CAS: 1818-71-9) be stored?

2-Oxo-3-hydroadenosine (CAS: 1818-71-9) should be stored in a cool, dry place, away from direct light and moisture. It is typically kept in airtight containers to prevent degradation. Stability is maintained under these conditions, but prolonged exposure to high temperatures or humidity may affect its integrity. Always store in a well-ventilated area and follow recommended chemical storage practices for safety.