[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate

C17H20FN5O6 — CID 157334297

IUPAC[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1[C@@H](F)[C@@H](CO)O[C@H]1n1cnc2c(NC(C)=O)ncnc21
InChIInChI=1S/C17H20FN5O6/c1-8(25)3-4-11(27)29-14-12(18)10(5-24)28-17(14)23-7-21-13-15(22-9(2)26)19-6-20-16(13)23/h6-7,10,12,14,17,24H,3-5H2,1-2H3,(H,19,20,22,26)/t10-,12+,14?,17-/m1/s1
InChIKeyDRLCOWQLFKSGLX-JKEKBFNASA-N
MW409.37 g/mol
LogP0.29
Rot. Bonds7

About [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate

[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate (PubChem CID 157334297) has the molecular formula C17H20FN5O6 and a molecular weight of 409.37 g/mol. Its IUPAC name is [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
PubChem CID157334297
Molecular FormulaC17H20FN5O6
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC Name[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1[C@@H](F)[C@@H](CO)O[C@H]1n1cnc2c(NC(C)=O)ncnc21
InChIInChI=1S/C17H20FN5O6/c1-8(25)3-4-11(27)29-14-12(18)10(5-24)28-17(14)23-7-21-13-15(22-9(2)26)19-6-20-16(13)23/h6-7,10,12,14,17,24H,3-5H2,1-2H3,(H,19,20,22,26)/t10-,12+,14?,17-/m1/s1
InChIKeyDRLCOWQLFKSGLX-JKEKBFNASA-N
XLogP0.29
TPSA145.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide
CID 177270494
[(2R,4S,5R)-4-fluoro-5-[6-(methylamino)purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-oxido-oxophosphanium
CID 171422387
[(2S,5R)-5-(6-acetamidopurin-9-yl)-4-acetyloxy-2-(sulfanylmethyl)oxolan-3-yl] acetate
CID 57153738
[(2S,3S,4S,5S)-5-(6-acetamidopurin-9-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 101134697
[(2R,4S,5R)-4-fluoro-5-[6-(methylamino)purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid
CID 171422396
[(2R,3S,4R,5R)-2-(6-benzamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 129081134
[(2R,3R,4R,5R)-2-[6-(carbamoylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] carbamate
CID 154418775
N-[2-[[(2R,3R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxymethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 170318631
[(2R,3S,4R,5R)-5-(6-acetamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 23278063
[(2R,5S,6R,7R)-2-(6-acetamidopurin-9-yl)-5,6-diacetyloxy-7-(hydroxymethyl)oxepan-4-yl] acetate
CID 71207127
N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 126544773
[(2R,4S,5R)-4-acetyloxy-2-(hydroxymethyl)-5-[6-(tritylamino)purin-9-yl]oxolan-3-yl] acetate
CID 153285900

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate (CID 157334297) is [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate is CC(=O)CCC(=O)OC1[C@@H](F)[C@@H](CO)O[C@H]1n1cnc2c(NC(C)=O)ncnc21.
What is the InChIKey of [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate?
The InChIKey is DRLCOWQLFKSGLX-JKEKBFNASA-N. The full InChI is InChI=1S/C17H20FN5O6/c1-8(25)3-4-11(27)29-14-12(18)10(5-24)28-17(14)23-7-21-13-15(22-9(2)26)19-6-20-16(13)23/h6-7,10,12,14,17,24H,3-5H2,1-2H3,(H,19,20,22,26)/t10-,12+,14?,17-/m1/s1.
What are the key properties of [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate?
[(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate has a molecular weight of 409.37 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2-(6-acetamidopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 157334297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).