[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium

C10H14FN3O4P+ — CID 142588323

IUPAC[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@H]1C[C@H](Nc2ncncc2F)C[C@@H]1CO
InChIInChI=1S/C10H13FN3O4P/c11-8-3-12-5-13-10(8)14-7-1-6(4-15)9(2-7)18-19(16)17/h3,5-7,9,15H,1-2,4H2,(H-,12,13,14,16,17)/p+1/t6-,7-,9+/m1/s1
InChIKeyFXTDXNHKWFUQCW-BHNWBGBOSA-O
MW290.21 g/mol
LogP0.83
Rot. Bonds5

About [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium

[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium (PubChem CID 142588323) has the molecular formula C10H14FN3O4P+ and a molecular weight of 290.21 g/mol. Its IUPAC name is [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium
PubChem CID142588323
Molecular FormulaC10H14FN3O4P+
Molecular Weight290.21 g/mol
Exact Mass290.07
IUPAC Name[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@H]1C[C@H](Nc2ncncc2F)C[C@@H]1CO
InChIInChI=1S/C10H13FN3O4P/c11-8-3-12-5-13-10(8)14-7-1-6(4-15)9(2-7)18-19(16)17/h3,5-7,9,15H,1-2,4H2,(H-,12,13,14,16,17)/p+1/t6-,7-,9+/m1/s1
InChIKeyFXTDXNHKWFUQCW-BHNWBGBOSA-O
XLogP0.83
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 ≤ 50.83
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 [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium (CID 142588323) is [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium is O=[P+](O)O[C@H]1C[C@H](Nc2ncncc2F)C[C@@H]1CO.
What is the InChIKey of [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium?
The InChIKey is FXTDXNHKWFUQCW-BHNWBGBOSA-O. The full InChI is InChI=1S/C10H13FN3O4P/c11-8-3-12-5-13-10(8)14-7-1-6(4-15)9(2-7)18-19(16)17/h3,5-7,9,15H,1-2,4H2,(H-,12,13,14,16,17)/p+1/t6-,7-,9+/m1/s1.
What are the key properties of [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium?
[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium has a molecular weight of 290.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 142588323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).