[(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium

C11H12FN4O2Y- — CID 58492862

IUPAC[(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium
SMILESCC1N=[C-]c2ncn([C@@H]3O[C@H](CO)C=C3F)c2N1.[Y]
InChIInChI=1S/C11H12FN4O2.Y/c1-6-13-3-9-10(15-6)16(5-14-9)11-8(12)2-7(4-17)18-11;/h2,5-7,11,15,17H,4H2,1H3;/q-1;/t6?,7-,11+;/m0./s1
InChIKeyZWTBHMKHFINKME-PHIFQMLUSA-N
MW340.15 g/mol
LogP0.69
Rot. Bonds2

About [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium

[(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium (PubChem CID 58492862) has the molecular formula C11H12FN4O2Y- and a molecular weight of 340.15 g/mol. Its IUPAC name is [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium.

Molecular Properties

Compound Name[(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium
PubChem CID58492862
Molecular FormulaC11H12FN4O2Y-
Molecular Weight340.15 g/mol
Exact Mass340.00
IUPAC Name[(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium
SMILESCC1N=[C-]c2ncn([C@@H]3O[C@H](CO)C=C3F)c2N1.[Y]
InChIInChI=1S/C11H12FN4O2.Y/c1-6-13-3-9-10(15-6)16(5-14-9)11-8(12)2-7(4-17)18-11;/h2,5-7,11,15,17H,4H2,1H3;/q-1;/t6?,7-,11+;/m0./s1
InChIKeyZWTBHMKHFINKME-PHIFQMLUSA-N
XLogP0.69
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium?
The IUPAC name of [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium (CID 58492862) is [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium.
What is the SMILES notation for [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium?
The canonical SMILES for [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium is CC1N=[C-]c2ncn([C@@H]3O[C@H](CO)C=C3F)c2N1.[Y].
What is the InChIKey of [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium?
The InChIKey is ZWTBHMKHFINKME-PHIFQMLUSA-N. The full InChI is InChI=1S/C11H12FN4O2.Y/c1-6-13-3-9-10(15-6)16(5-14-9)11-8(12)2-7(4-17)18-11;/h2,5-7,11,15,17H,4H2,1H3;/q-1;/t6?,7-,11+;/m0./s1.
What are the key properties of [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium?
[(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium has a molecular weight of 340.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-4-fluoro-5-(2-methyl-3,6-dihydro-2H-purin-6-id-9-yl)-2,5-dihydrofuran-2-yl]methanol;yttrium is sourced from PubChem (CID 58492862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).