Oxathiolan - analytical standard, ≥95% , CAS No.137530-41-7

CAS: 137530-41-7 Cat. No.: O1061582 PubChem CID: 454858
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥95%
Storage
Room temperature
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Size
Alemanha (EU)
USA*
Price
Qty
25mg
O1061582-25mg
Sob encomenda · 8–12 semanas
2619,62€
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, ≥95% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificações e pureza
analytical standard, ≥95%
Condições de armazenamento de armazenamento
Room temperature
Grau
Analytical standard
Pureza
≥95%
Nomes e identificadores
Sorrisos canónicos
C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F
IUPAC Name
4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
InChIKey
XQSPYNMVSIKCOC-RITPCOANSA-N
INCHI
1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m1/s1
SMILES isoméricas
C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)F
CAS alternativo
137530-41-7
PubChem CID
454858
Termos de entrada MeSH
(+)-emtricitabine;(+)-FTC;(rac)-emtricitabine;1-(2-(hydroxymethyl)oxathiolan-5-yl)-5-fluorocytosine;2',3'-dideoxy-5-fluoro-3'-thiacytidine;2',3'-dideoxy-5-fluoro-3'-thiacytidine, (2S-cis)-isomer;5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine;D

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClasseNucleoside and nucleotide analogues
Subclass3'-thia pyrimidine nucleosides
Intermediate Tree Nodes Not available
Direct Parent3'-thia pyrimidine nucleosides
Alternative Parents Pyrimidones  Aminopyrimidines and derivatives  Halopyrimidines  Aryl fluorides  Hydropyrimidines  Imidolactams  Oxathiolanes  Heteroaromatic compounds  Monothioacetals  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  Primary alcohols  Primary amines  Organic oxides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 3'-thia pyrimidine nucleoside - Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Monothioacetal - Oxathiolane - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as 3'-thia pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-thia derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular247.250 g/mol
XLogP3-0.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass247.043 Da
Monoisotopic Mass247.043 Da
Topological Polar Surface Area113.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity374.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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