[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol

C12H22N2O10P+ — CID 153342401

IUPAC[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol
SMILESCO.CO.O=Cc1cn(C2CCC(CO[P+](O)(O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N2O8P.2CH4O/c13-4-6-3-12(10(15)11-9(6)14)8-2-1-7(20-8)5-19-21(16,17)18;2*1-2/h3-4,7-8,16-18H,1-2,5H2;2*2H,1H3/p+1
InChIKeyLUELCYGECUDUPD-UHFFFAOYSA-O
MW385.29 g/mol
LogP-2.09
Rot. Bonds5

About [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol

[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol (PubChem CID 153342401) has the molecular formula C12H22N2O10P+ and a molecular weight of 385.29 g/mol. Its IUPAC name is [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol.

Molecular Properties

Compound Name[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol
PubChem CID153342401
Molecular FormulaC12H22N2O10P+
Molecular Weight385.29 g/mol
Exact Mass385.10
IUPAC Name[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol
SMILESCO.CO.O=Cc1cn(C2CCC(CO[P+](O)(O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N2O8P.2CH4O/c13-4-6-3-12(10(15)11-9(6)14)8-2-1-7(20-8)5-19-21(16,17)18;2*1-2/h3-4,7-8,16-18H,1-2,5H2;2*2H,1H3/p+1
InChIKeyLUELCYGECUDUPD-UHFFFAOYSA-O
XLogP-2.09
TPSA191.54 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500385.29
LogP ≤ 5-2.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
CID 171528817
[5-(5-chloro-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium
CID 156803950
1-[5-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
CID 153342502
1-[5-[(8-methyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
CID 156804218
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850
[(2S,5R)-5-[5-[(E)-3-aminoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 59806215
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
1-[5-[(6,8-ditert-butyl-5-fluoro-4H-1,3,2-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde;ethane
CID 156803951
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211

Frequently Asked Questions

What is the IUPAC name of [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol?
The IUPAC name of [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol (CID 153342401) is [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol.
What is the SMILES notation for [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol?
The canonical SMILES for [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol is CO.CO.O=Cc1cn(C2CCC(CO[P+](O)(O)O)O2)c(=O)[nH]c1=O.
What is the InChIKey of [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol?
The InChIKey is LUELCYGECUDUPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N2O8P.2CH4O/c13-4-6-3-12(10(15)11-9(6)14)8-2-1-7(20-8)5-19-21(16,17)18;2*1-2/h3-4,7-8,16-18H,1-2,5H2;2*2H,1H3/p+1.
What are the key properties of [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol?
[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol has a molecular weight of 385.29 g/mol, XLogP of -2.09, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol is sourced from PubChem (CID 153342401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).