[(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol

C11H12FN4O2+ — CID 59400975

IUPAC[(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESCc1ncnc2c1[nH]c[n+]2[C@H]1O[C@@H](CO)C=C1F
InChIInChI=1S/C11H11FN4O2/c1-6-9-10(14-4-13-6)16(5-15-9)11-8(12)2-7(3-17)18-11/h2,4-5,7,11,17H,3H2,1H3/p+1/t7-,11+/m1/s1
InChIKeyZTFMNWXOFVEAIB-HQJQHLMTSA-O
MW251.24 g/mol
LogP0.30
Rot. Bonds2

About [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol

[(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol (PubChem CID 59400975) has the molecular formula C11H12FN4O2+ and a molecular weight of 251.24 g/mol. Its IUPAC name is [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol
PubChem CID59400975
Molecular FormulaC11H12FN4O2+
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESCc1ncnc2c1[nH]c[n+]2[C@H]1O[C@@H](CO)C=C1F
InChIInChI=1S/C11H11FN4O2/c1-6-9-10(14-4-13-6)16(5-15-9)11-8(12)2-7(3-17)18-11/h2,4-5,7,11,17H,3H2,1H3/p+1/t7-,11+/m1/s1
InChIKeyZTFMNWXOFVEAIB-HQJQHLMTSA-O
XLogP0.30
TPSA74.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol (CID 59400975) is [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol is Cc1ncnc2c1[nH]c[n+]2[C@H]1O[C@@H](CO)C=C1F.
What is the InChIKey of [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is ZTFMNWXOFVEAIB-HQJQHLMTSA-O. The full InChI is InChI=1S/C11H11FN4O2/c1-6-9-10(14-4-13-6)16(5-15-9)11-8(12)2-7(3-17)18-11/h2,4-5,7,11,17H,3H2,1H3/p+1/t7-,11+/m1/s1.
What are the key properties of [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol?
[(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 251.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-4-fluoro-5-(6-methyl-7H-purin-9-ium-9-yl)-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 59400975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).