[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate

C25H24N2O8 — CID 70928608

IUPAC[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
SMILESCC(=O)OC1CC(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O1
InChIInChI=1S/C25H24N2O8/c1-17(28)33-22-14-20(34-24(30)19-10-6-3-7-11-19)23(35-22)26-13-12-21(29)27(25(26)31)16-32-15-18-8-4-2-5-9-18/h2-13,20,22-23H,14-16H2,1H3/t20?,22?,23-/m1/s1
InChIKeyYPMOBOPXLXIMKX-IQWMQGJTSA-N
MW480.47 g/mol
LogP2.22
Rot. Bonds8

About [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate

[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate (PubChem CID 70928608) has the molecular formula C25H24N2O8 and a molecular weight of 480.47 g/mol. Its IUPAC name is [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
PubChem CID70928608
Molecular FormulaC25H24N2O8
Molecular Weight480.47 g/mol
Exact Mass480.15
IUPAC Name[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
SMILESCC(=O)OC1CC(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O1
InChIInChI=1S/C25H24N2O8/c1-17(28)33-22-14-20(34-24(30)19-10-6-3-7-11-19)23(35-22)26-13-12-21(29)27(25(26)31)16-32-15-18-8-4-2-5-9-18/h2-13,20,22-23H,14-16H2,1H3/t20?,22?,23-/m1/s1
InChIKeyYPMOBOPXLXIMKX-IQWMQGJTSA-N
XLogP2.22
TPSA115.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

[(2R,3R,5R)-5-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-4-methoxy-2-(phosphorosooxymethoxy)oxolan-3-yl] benzoate
CID 167378765
[(2R,4S,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid;[(2R,3S,5R)-5-(diethoxyphosphorylmethoxy)-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate;[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid;iodo(trimethyl)silane
CID 159397867
[(2R,3R,4R,5R)-4-chloro-5-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-2-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate
CID 118968608
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59243561
[5-(diethoxyphosphorylmethoxy)-3-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-2-fluoro-2-methylcyclopentyl] benzoate
CID 58971968
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 170334053
[(2S,3S,5R)-2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
CID 10930571
1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 143414579
[6-acetyloxy-3-methyl-2-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 58326011
[(1R,8R,9R,11S,13R)-8-acetyloxy-3,5-dioxo-4-phenyl-13-phenylmethoxy-10-oxa-2,4,6-triazatricyclo[7.4.0.02,6]tridecan-11-yl] acetate
CID 101145669
1-[(4aR,6R,7R,7aR)-2-chloro-7-methoxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 172584759

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate?
The IUPAC name of [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate (CID 70928608) is [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate.
What is the SMILES notation for [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate?
The canonical SMILES for [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate is CC(=O)OC1CC(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O1.
What is the InChIKey of [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate?
The InChIKey is YPMOBOPXLXIMKX-IQWMQGJTSA-N. The full InChI is InChI=1S/C25H24N2O8/c1-17(28)33-22-14-20(34-24(30)19-10-6-3-7-11-19)23(35-22)26-13-12-21(29)27(25(26)31)16-32-15-18-8-4-2-5-9-18/h2-13,20,22-23H,14-16H2,1H3/t20?,22?,23-/m1/s1.
What are the key properties of [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate?
[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate has a molecular weight of 480.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate is sourced from PubChem (CID 70928608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).