[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite

C12H18FN2O6P — CID 139341090

IUPAC[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
SMILESCCCOP(O)OCC1CCC(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C12H18FN2O6P/c1-2-5-19-22(18)20-7-8-3-4-10(21-8)15-6-9(13)11(16)14-12(15)17/h6,8,10,18H,2-5,7H2,1H3,(H,14,16,17)
InChIKeyKFUGSIXVBYLNEQ-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.02
Rot. Bonds7

About [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite

[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite (PubChem CID 139341090) has the molecular formula C12H18FN2O6P and a molecular weight of 336.26 g/mol. Its IUPAC name is [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite.

Molecular Properties

Compound Name[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
PubChem CID139341090
Molecular FormulaC12H18FN2O6P
Molecular Weight336.26 g/mol
Exact Mass336.09
IUPAC Name[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
SMILESCCCOP(O)OCC1CCC(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C12H18FN2O6P/c1-2-5-19-22(18)20-7-8-3-4-10(21-8)15-6-9(13)11(16)14-12(15)17/h6,8,10,18H,2-5,7H2,1H3,(H,14,16,17)
InChIKeyKFUGSIXVBYLNEQ-UHFFFAOYSA-N
XLogP1.02
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite?
The IUPAC name of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite (CID 139341090) is [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite.
What is the SMILES notation for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite?
The canonical SMILES for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite is CCCOP(O)OCC1CCC(n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite?
The InChIKey is KFUGSIXVBYLNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN2O6P/c1-2-5-19-22(18)20-7-8-3-4-10(21-8)15-6-9(13)11(16)14-12(15)17/h6,8,10,18H,2-5,7H2,1H3,(H,14,16,17).
What are the key properties of [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite?
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite has a molecular weight of 336.26 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite is sourced from PubChem (CID 139341090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).