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Basic information
- CAS
4494-26-2- Standard SMILES
O=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
MVORBLZUGBSUNB-XLPZGREQSA-N- Molecular formula
- C10H12N2O6
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.06953611
Names & identifiers
- Preferred name
- 5-Formyl-2'-deoxyuridine
- IUPAC
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
- English name
- 5-formyl-2'-deoxyuridine
- Molecular formula
- C10H12N2O6
- Molecular weight
- 256.21
Names & synonyms
5-Formyl-2'-deoxyuridine4494-26-2RefChem:9133902'-deoxy-5-formyluridine1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehydeUridine, 2'-deoxy-5-formyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehydeMFCD016898201-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carbaldehydeCCRIS 6343NSC 1482971-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Show more names
5-Formyl-dU5-formyl-2'-dUα-OxothymidineThymidine, α-oxo-5-Formul-2’-deoxyuridine5-Formyl-2’-deoxyuridine, DNA adduct1-(2-Deoxy-β-D-ribofuranosyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde
alpha-Oxothymidine; 2'-Deoxy-5-formyluridine; 5-Formyl-2'-deoxyuridine; 5-Formyldeoxyuridine; NSC 1482975-formyldeoxyuridine5-formyl-deoxyuridine1,2,3,4-Tetrahydro-1-(2-deoxy-beta-D-ribofuranosyl)-2,4-dioxo-5-pyrimidinecarboxaldehydeSCHEMBL337091CHEMBL379296orb2564739MVORBLZUGBSUNB-XLPZGREQSA-N
Properties
Computed structural propertiesFilling in
- XLogP
- -1.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 162 · 162 - 164°C
- Density
- 1.67 · 1.670±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly, Sonicated)
- pka
- 8.23 · 8.23±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
Chemistry & industry
Applications
Uses5-Formyl-2'-deoxyuridine is a product formed when the 5-methyl group of thymine in DNA undergoes oxidation due to exposure to gamma radiation or certain chemical agents. Serving as a biomarker of oxidative DNA damage, 5-formyl-2'-deoxyuridine is employed in investigations of DNA damage and repair mechanisms. Additionally, 5-Formyl-2'-deoxyuridine can be used in studies involving chemically crosslinking with peptides derived from the RecA protein[1].
Suppliers46 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
Related reactions
2 records
Compound notes
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