1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

Basic Information

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CAS Number

3056-17-5

Molecular Formula

C10H12N2O4

Molecular Weight

224.22 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

166°C(dec.)

Density

1.374

Water Solubility

5-10 g/100 mL at 21 ºC

Refractive Index

-46 ° (C=0.69, H2O)

Specific Rotation

-40° to -48° (c=0.7, H2O)

SMILES

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CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO

InChI

InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1

InChIKey

XNKLLVCARDGLGL-JGVFFNPUSA-N

LogP

-0.7090799999999999

Topological Polar Surface Area

84.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

388

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H341 Suspected of causing genetic defects
Germ cell mutagenicity

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

Estavudina [INN-Spanish]
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
2'',3''-dideoxy-2'',3''-didehydrothymidine
BRN 0618327
SR-01000075802-1
1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-(1H,3H)-dione
EU-0100336
Stavudine (USAN/INN)
Pharmakon1600-01502339
Tox21_500336
NC00684
Q-201742
ddeThd
AKOS005622554
cid_5155
cid_18283
ZIDOVUDINE IMPURITY A [EP IMPURITY]
D3580
STAVUDINE [EP IMPURITY]
MLS006011922
2',3'-Didehydro-3'-deoxythimidine
Z1530425068
SMR000673569
Q423984
STAVUDINE [WHO-DD]
1-(2,3-Dideoxy-beta-D-glycero-2-pentenofuranosyl)thymine
D00445
HY-B0116
Stavudinum
MLS001424091
NSC 163661

MDL Number

MFCD00132921

Customs Code

2938901000

FAQ

What is 1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5)?

1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5) is a heterocyclic organic compound containing a pyrimidinedione ring and a furanyl group. Its chemical formula is C9H11N3O5, and it exhibits structural features typical of nucleotide analogs, including hydroxymethyl and methyl substituents. The compound is known for its potential in pharmaceutical and biochemical applications due to its complex ring system and functional groups.

What are the main uses of 1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5)?

The primary uses of 1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5) include pharmaceutical research, particularly in the development of nucleotide-based drugs. It is also used as a synthetic intermediate in organic chemistry for creating complex molecules. Applications may extend to biochemical studies and industrial processes requiring specific functional group modifications.

Is 1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5) safe?

Safety data for 1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5) is limited, but standard chemical safety precautions should be observed. It is advisable to handle the compound with appropriate personal protective equipment (PPE) and avoid inhalation or skin contact. Always consult safety data sheets (SDS) and regulatory guidelines for safe handling and exposure limits.

How should 1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5) be stored?

1-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS: 3056-17-5) should be stored in a cool, dry, and dark environment to maintain stability. Keep it in a sealed container, away from moisture and light. Storage temperature should be below 25°C, and humidity levels should be controlled to prevent degradation. Ensure proper ventilation in storage areas.