[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid

C10H15N2O5P — CID 166965850

IUPAC[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
SMILESCc1cn([C@H]2CC[C@@H](COPO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18-15/h4,7-8,15,18H,2-3,5H2,1H3,(H,11,13,14)/t7-,8+/m0/s1
InChIKeyBZNZAGJZMYLNEJ-JGVFFNPUSA-N
MW274.21 g/mol
LogP0.04
Rot. Bonds4

About [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid

[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid (PubChem CID 166965850) has the molecular formula C10H15N2O5P and a molecular weight of 274.21 g/mol. Its IUPAC name is [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid.

Molecular Properties

Compound Name[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
PubChem CID166965850
Molecular FormulaC10H15N2O5P
Molecular Weight274.21 g/mol
Exact Mass274.07
IUPAC Name[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
SMILESCc1cn([C@H]2CC[C@@H](COPO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N2O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18-15/h4,7-8,15,18H,2-3,5H2,1H3,(H,11,13,14)/t7-,8+/m0/s1
InChIKeyBZNZAGJZMYLNEJ-JGVFFNPUSA-N
XLogP0.04
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 4319719
1-[(2R,5S)-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 164835448
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
5-methyl-1-[(2R,5S)-5-(phenylsulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 142887795

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid?
The IUPAC name of [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid (CID 166965850) is [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid.
What is the SMILES notation for [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid?
The canonical SMILES for [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid is Cc1cn([C@H]2CC[C@@H](COPO)O2)c(=O)[nH]c1=O.
What is the InChIKey of [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid?
The InChIKey is BZNZAGJZMYLNEJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15N2O5P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(17-8)5-16-18-15/h4,7-8,15,18H,2-3,5H2,1H3,(H,11,13,14)/t7-,8+/m0/s1.
What are the key properties of [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid?
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid has a molecular weight of 274.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid is sourced from PubChem (CID 166965850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).