tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate

C17H24FN2O10P — CID 90663365

IUPACtert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCOP(=O)(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)O1
InChIInChI=1S/C17H24FN2O10P/c1-17(2,3)29-15(23)11-4-5-26-31(25,30-11)27-8-12-10(21)6-13(28-12)20-7-9(18)14(22)19-16(20)24/h7,10-13,21H,4-6,8H2,1-3H3,(H,19,22,24)/t10-,11?,12+,13+,31?/m0/s1
InChIKeyDHMBXOBDWMYNTF-NESJCESRSA-N
MW466.36 g/mol
LogP0.60
Rot. Bonds5

About tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate

tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate (PubChem CID 90663365) has the molecular formula C17H24FN2O10P and a molecular weight of 466.36 g/mol. Its IUPAC name is tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate
PubChem CID90663365
Molecular FormulaC17H24FN2O10P
Molecular Weight466.36 g/mol
Exact Mass466.12
IUPAC Nametert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCOP(=O)(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)O1
InChIInChI=1S/C17H24FN2O10P/c1-17(2,3)29-15(23)11-4-5-26-31(25,30-11)27-8-12-10(21)6-13(28-12)20-7-9(18)14(22)19-16(20)24/h7,10-13,21H,4-6,8H2,1-3H3,(H,19,22,24)/t10-,11?,12+,13+,31?/m0/s1
InChIKeyDHMBXOBDWMYNTF-NESJCESRSA-N
XLogP0.60
TPSA155.38 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate?
The IUPAC name of tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate (CID 90663365) is tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate is CC(C)(C)OC(=O)C1CCOP(=O)(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)O1.
What is the InChIKey of tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate?
The InChIKey is DHMBXOBDWMYNTF-NESJCESRSA-N. The full InChI is InChI=1S/C17H24FN2O10P/c1-17(2,3)29-15(23)11-4-5-26-31(25,30-11)27-8-12-10(21)6-13(28-12)20-7-9(18)14(22)19-16(20)24/h7,10-13,21H,4-6,8H2,1-3H3,(H,19,22,24)/t10-,11?,12+,13+,31?/m0/s1.
What are the key properties of tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate?
tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate has a molecular weight of 466.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxo-1,3,2λ5-dioxaphosphinane-4-carboxylate is sourced from PubChem (CID 90663365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).