3'-Fluorothymidine

C10H13FN2O4 — CID 33039

IUPAC1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChIInChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKeyUXCAQJAQSWSNPQ-XLPZGREQSA-N
MW244.22 g/mol
LogP-0.30
Rot. Bonds2

About 3'-Fluorothymidine

3'-Fluorothymidine (PubChem CID 33039) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3'-Fluorothymidine
PubChem CID33039
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChIInChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKeyUXCAQJAQSWSNPQ-XLPZGREQSA-N
XLogP-0.30
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3'-Fluorothymidine?
The IUPAC name of 3'-Fluorothymidine (CID 33039) is 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3'-Fluorothymidine?
The canonical SMILES for 3'-Fluorothymidine is CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F.
What is the InChIKey of 3'-Fluorothymidine?
The InChIKey is UXCAQJAQSWSNPQ-XLPZGREQSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1.
What are the key properties of 3'-Fluorothymidine?
3'-Fluorothymidine has a molecular weight of 244.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-Fluorothymidine is sourced from PubChem (CID 33039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).