[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium

C13H22N2O7P+ — CID 172580649

IUPAC[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
SMILESCCO[P+](O)(OCC)OCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C13H21N2O7P/c1-3-19-23(18,20-4-2)21-9-10-5-6-12(22-10)15-8-7-11(16)14-13(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3/p+1
InChIKeyBCDAAZBNITUOAM-UHFFFAOYSA-O
MW349.30 g/mol
LogP0.97
Rot. Bonds8

About [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium

[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium (PubChem CID 172580649) has the molecular formula C13H22N2O7P+ and a molecular weight of 349.30 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
PubChem CID172580649
Molecular FormulaC13H22N2O7P+
Molecular Weight349.30 g/mol
Exact Mass349.12
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
SMILESCCO[P+](O)(OCC)OCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C13H21N2O7P/c1-3-19-23(18,20-4-2)21-9-10-5-6-12(22-10)15-8-7-11(16)14-13(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3/p+1
InChIKeyBCDAAZBNITUOAM-UHFFFAOYSA-O
XLogP0.97
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-propan-2-yloxycyclohexane-1-carboxylate
CID 172580603
[4-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl]phenyl] acetate
CID 166712934
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium (CID 172580649) is [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium is CCO[P+](O)(OCC)OCC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium?
The InChIKey is BCDAAZBNITUOAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21N2O7P/c1-3-19-23(18,20-4-2)21-9-10-5-6-12(22-10)15-8-7-11(16)14-13(15)17/h7-8,10,12,18H,3-6,9H2,1-2H3/p+1.
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium?
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium has a molecular weight of 349.30 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium is sourced from PubChem (CID 172580649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).