5-Methyluridine - ≥99% , CAS No.1463-10-1

CAS: 1463-10-1 Cat. No.: M101429 Formula: C₁₀H₁₄N₂O₆ Molecular Weight: 258.23 Beilstein Registry Number: 24(5)7,172 EC Number: 215-973-9

GRADE & PURITY ≥99%

Synonyms

1-b-D-Ribofuranosylthymine | THYMINE RIBOSIDE, (-)- | A808481 | CHEBI:45996 | beta-delta-Ribofuranoside thymine-1 | Hydrazinecarbothioamide, 2,2'-(1-(1-ethoxyethyl)-1,2-ethanediylidene)bis | thymine-1 beta-D-Ribofuranosylthymine | NSC-53172 | 2,4(1H,3H)-P

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-b-D-Ribofuranosylthymine | THYMINE RIBOSIDE, (-)- | A808481 | CHEBI:45996 | beta-delta-Ribofuranoside thymine-1 | Hydrazinecarbothioamide, 2,2'-(1-(1-ethoxyethyl)-1,2-ethanediylidene)bis | thymine-1 beta-D-Ribofuranosylthymine | NSC-53172 | 2,4(1H,3H)-P

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488189837

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189837

Canonical Smiles

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

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

DWRXFEITVBNRMK-JXOAFFINSA-N

INCHI

1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

WGK Germany

3

Molecular Weight

258.23

Beilstein

24(5)7,172

Reaxy-Rn

24733125

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24733125&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Urea - Secondary alcohol - Lactam - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: methyluridine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

WI-38 (2654 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HeLa (62764 Activities)

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Associated Targets(non-human)

Vero (26788 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Specific Rotation[α]: -8 ° (C=2, H2O)
• Melt Point(°C): 183°C
• Molecular Weight: 258.230 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 258.085 Da
• Monoisotopic Mass: 258.085 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1463-10-1, the molecular formula is C10H14N2O6, and the molecular weight is 258.23 g/mol. InChIKey DWRXFEITVBNRMK-JXOAFFINSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.