1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C9H11N2O5P — CID 70849208

IUPAC1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=POC[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11N2O5P/c12-7-3-4-11(9(13)10-7)8-2-1-6(16-8)5-15-17-14/h3-4,6,8H,1-2,5H2,(H,10,12,13)/t6-,8+/m0/s1
InChIKeyYGGZHJUWXMXTBJ-POYBYMJQSA-N
MW258.17 g/mol
LogP0.44
Rot. Bonds4

About 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70849208) has the molecular formula C9H11N2O5P and a molecular weight of 258.17 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70849208
Molecular FormulaC9H11N2O5P
Molecular Weight258.17 g/mol
Exact Mass258.04
IUPAC Name1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=POC[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H11N2O5P/c12-7-3-4-11(9(13)10-7)8-2-1-6(16-8)5-15-17-14/h3-4,6,8H,1-2,5H2,(H,10,12,13)/t6-,8+/m0/s1
InChIKeyYGGZHJUWXMXTBJ-POYBYMJQSA-N
XLogP0.44
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971
1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118327336
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
azanium [[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CID 75409925
[4-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl]phenyl] acetate
CID 166712934
tetralithium;[[[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 155889710

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 70849208) is 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=POC[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YGGZHJUWXMXTBJ-POYBYMJQSA-N. The full InChI is InChI=1S/C9H11N2O5P/c12-7-3-4-11(9(13)10-7)8-2-1-6(16-8)5-15-17-14/h3-4,6,8H,1-2,5H2,(H,10,12,13)/t6-,8+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 258.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70849208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).