[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium

C17H22N2O7P+ — CID 171528577

IUPAC[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium
SMILESCO[P+](O)(OCc1ccccc1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C17H21N2O7P/c1-23-27(22,24-11-13-5-3-2-4-6-13)25-12-14-7-8-16(26-14)19-10-9-15(20)18-17(19)21/h2-6,9-10,14,16,22H,7-8,11-12H2,1H3/p+1
InChIKeyATJQUZZIFCUQLB-UHFFFAOYSA-O
MW397.34 g/mol
LogP1.76
Rot. Bonds8

About [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium

[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium (PubChem CID 171528577) has the molecular formula C17H22N2O7P+ and a molecular weight of 397.34 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium
PubChem CID171528577
Molecular FormulaC17H22N2O7P+
Molecular Weight397.34 g/mol
Exact Mass397.12
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium
SMILESCO[P+](O)(OCc1ccccc1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C17H21N2O7P/c1-23-27(22,24-11-13-5-3-2-4-6-13)25-12-14-7-8-16(26-14)19-10-9-15(20)18-17(19)21/h2-6,9-10,14,16,22H,7-8,11-12H2,1H3/p+1
InChIKeyATJQUZZIFCUQLB-UHFFFAOYSA-O
XLogP1.76
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 51.76
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

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CID 90675660
CID 11473027
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CID 502266
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CID 45270536
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CID 465634
CID 465634
CID 6481573
CID 6481573
CID 10806767
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CID 453115
CID 453115

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium (CID 171528577) is [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium is CO[P+](O)(OCc1ccccc1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium?
The InChIKey is ATJQUZZIFCUQLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N2O7P/c1-23-27(22,24-11-13-5-3-2-4-6-13)25-12-14-7-8-16(26-14)19-10-9-15(20)18-17(19)21/h2-6,9-10,14,16,22H,7-8,11-12H2,1H3/p+1.
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium?
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-methoxy-phenylmethoxyphosphanium has a molecular weight of 397.34 g/mol, XLogP of 1.76, 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-hydroxy-methoxy-phenylmethoxyphosphanium is sourced from PubChem (CID 171528577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).