2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine

CAS 161599-46-8  ·  C13H16FN3O6  ·  MW 329.28 g/mol

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3D model 2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine, CAS 161599-46-8, molecular formula C13H16FN3O6, molar mass 329.28 g/mol
About 2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine

2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine is a chemical compound registered under number CAS 161599-46-8, with the molecular formula C13H16FN3O6, and a molar mass of 329.28 g/mol.

The molecule contains 39 atoms connected by 40 chemical bonds. The full systematic IUPAC name of this compound is [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -0.7 (negative value, a hydrophilic compound), polar surface area PSA = 121 Ų, 1 donors and 7 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC13H16FN3O6
Masa molowa329.28 g/mol
IUPAC[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
SMILESC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
InChIKeyNWJBWNIUGNXJGO-RPULLILYSA-N
logP (XLogP3)-0.7
PSA121 Ų
HBD / HBA1 / 7
PubChem CIDCID 11809635 ↗
GHS safety

Signal word: Danger

GHS08
GHS08

H350 — Może powodować raka

H360 — Może działać szkodliwie na płodność lub na dziecko w łonie matki

Scientific literature

Related literature

15 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1999: 2 articles19992003: 1 articles2011: 2 articles2021: 1 articles2022: 1 articles20222023: 2 articles2024: 1 articles2025: 3 articles2025

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
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2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine · 161599-46-8
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Source data
PubChem CID 11809635 ↗
SHA-256 (STL)
445dcacc91a70e2cddeb3199af63f55f5cf9bf08aa89acec285bdc9c1aa414a6
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