[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium

C10H14FN3O4P+ — CID 153269474

IUPAC[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@@H]1C(CO)C[C@@H](Nc2ccncn2)[C@@H]1F
InChIInChI=1S/C10H13FN3O4P/c11-9-7(14-8-1-2-12-5-13-8)3-6(4-15)10(9)18-19(16)17/h1-2,5-7,9-10,15H,3-4H2,(H-,12,13,14,16,17)/p+1/t6?,7-,9+,10-/m1/s1
InChIKeyIVFYXMWROKRYEM-ABONGIHLSA-O
MW290.21 g/mol
LogP0.64
Rot. Bonds5

About [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium

[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium (PubChem CID 153269474) has the molecular formula C10H14FN3O4P+ and a molecular weight of 290.21 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
PubChem CID153269474
Molecular FormulaC10H14FN3O4P+
Molecular Weight290.21 g/mol
Exact Mass290.07
IUPAC Name[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@@H]1C(CO)C[C@@H](Nc2ccncn2)[C@@H]1F
InChIInChI=1S/C10H13FN3O4P/c11-9-7(14-8-1-2-12-5-13-8)3-6(4-15)10(9)18-19(16)17/h1-2,5-7,9-10,15H,3-4H2,(H-,12,13,14,16,17)/p+1/t6?,7-,9+,10-/m1/s1
InChIKeyIVFYXMWROKRYEM-ABONGIHLSA-O
XLogP0.64
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium (CID 153269474) is [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium is O=[P+](O)O[C@@H]1C(CO)C[C@@H](Nc2ccncn2)[C@@H]1F.
What is the InChIKey of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
The InChIKey is IVFYXMWROKRYEM-ABONGIHLSA-O. The full InChI is InChI=1S/C10H13FN3O4P/c11-9-7(14-8-1-2-12-5-13-8)3-6(4-15)10(9)18-19(16)17/h1-2,5-7,9-10,15H,3-4H2,(H-,12,13,14,16,17)/p+1/t6?,7-,9+,10-/m1/s1.
What are the key properties of [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium?
[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium has a molecular weight of 290.21 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 153269474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).