5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione

C9H10F2N2O4Se — CID 90682961

IUPAC5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2[Se][C@H](CO)[C@@H](O)[C@@H]2F)cc1F
InChIInChI=1S/C9H10F2N2O4Se/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8?/m1/s1
InChIKeyLXHYKRXEJHPVIG-NFRNADEISA-N
MW327.15 g/mol
LogP-1.63
Rot. Bonds2

About 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione (PubChem CID 90682961) has the molecular formula C9H10F2N2O4Se and a molecular weight of 327.15 g/mol. Its IUPAC name is 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
PubChem CID90682961
Molecular FormulaC9H10F2N2O4Se
Molecular Weight327.15 g/mol
Exact Mass327.98
IUPAC Name5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2[Se][C@H](CO)[C@@H](O)[C@@H]2F)cc1F
InChIInChI=1S/C9H10F2N2O4Se/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8?/m1/s1
InChIKeyLXHYKRXEJHPVIG-NFRNADEISA-N
XLogP-1.63
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione (CID 90682961) is 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2[Se][C@H](CO)[C@@H](O)[C@@H]2F)cc1F.
What is the InChIKey of 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is LXHYKRXEJHPVIG-NFRNADEISA-N. The full InChI is InChI=1S/C9H10F2N2O4Se/c10-3-1-13(9(17)12-7(3)16)8-5(11)6(15)4(2-14)18-8/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8?/m1/s1.
What are the key properties of 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 327.15 g/mol, XLogP of -1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 90682961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).