[(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

C56H74IN6O33P5Si — CID 159397867

IUPAC[(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
SMILESCCOP(=O)(CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O1)OCC.C[Si](C)(C)I.O=C(O[C@H]1C[C@@H](OCP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O)c1ccccc1.O=c1ccn([C@@H]2O[C@H](OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]2O)c(=O)[nH]1
InChIInChI=1S/C28H33N2O10P.C16H17N2O9P.C9H15N2O14P3.C3H9ISi/c1-3-37-41(34,38-4-2)20-36-25-17-23(39-27(32)22-13-9-6-10-14-22)26(40-25)29-16-15-24(31)30(28(29)33)19-35-18-21-11-7-5-8-12-21;19-12-6-7-18(16(21)17-12)14-11(8-13(27-14)25-9-28(22,23)24)26-15(20)10-4-2-1-3-5-10;12-5-3-7(23-8(5)11-2-1-6(13)10-9(11)14)22-4-26(15,16)24-28(20,21)25-27(17,18)19;1-5(2,3)4/h5-16,23,25-26H,3-4,17-20H2,1-2H3;1-7,11,13-14H,8-9H2,(H,17,19,21)(H2,22,23,24);1-2,5,7-8,12H,3-4H2,(H,15,16)(H,20,21)(H,10,13,14)(H2,17,18,19);1-3H3/t23-,25-,26+;11-,13-,14+;5-,7-,8+;/m000./s1
InChIKeyLMYOWOLSAXADNE-XRWYXRHLSA-N
MW1669.08 g/mol
LogP4.84
Rot. Bonds28

About [(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

[(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 (PubChem CID 159397867) has the molecular formula C56H74IN6O33P5Si and a molecular weight of 1669.08 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID159397867
Molecular FormulaC56H74IN6O33P5Si
Molecular Weight1669.08 g/mol
Exact Mass1668.18
IUPAC Name[(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
SMILESCCOP(=O)(CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O1)OCC.C[Si](C)(C)I.O=C(O[C@H]1C[C@@H](OCP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O)c1ccccc1.O=c1ccn([C@@H]2O[C@H](OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]2O)c(=O)[nH]1
InChIInChI=1S/C28H33N2O10P.C16H17N2O9P.C9H15N2O14P3.C3H9ISi/c1-3-37-41(34,38-4-2)20-36-25-17-23(39-27(32)22-13-9-6-10-14-22)26(40-25)29-16-15-24(31)30(28(29)33)19-35-18-21-11-7-5-8-12-21;19-12-6-7-18(16(21)17-12)14-11(8-13(27-14)25-9-28(22,23)24)26-15(20)10-4-2-1-3-5-10;12-5-3-7(23-8(5)11-2-1-6(13)10-9(11)14)22-4-26(15,16)24-28(20,21)25-27(17,18)19;1-5(2,3)4/h5-16,23,25-26H,3-4,17-20H2,1-2H3;1-7,11,13-14H,8-9H2,(H,17,19,21)(H2,22,23,24);1-2,5,7-8,12H,3-4H2,(H,15,16)(H,20,21)(H,10,13,14)(H2,17,18,19);1-3H3/t23-,25-,26+;11-,13-,14+;5-,7-,8+;/m000./s1
InChIKeyLMYOWOLSAXADNE-XRWYXRHLSA-N
XLogP4.84
TPSA534.81 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.08
LogP ≤ 54.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

[(2R,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 58521254
[(2R,4R,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 90696831
[(2R)-5-acetyloxy-2-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-3-yl] benzoate
CID 70928608
[5-(diethoxyphosphorylmethoxy)-3-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-2-fluoro-2-methylcyclopentyl] benzoate
CID 58971968
[(2R,3R,5R)-5-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-4-methoxy-2-(phosphorosooxymethoxy)oxolan-3-yl] benzoate
CID 167378765
[5-(diethoxyphosphorylmethoxy)-3-(2,4-dioxopyrimidin-1-yl)-2-fluoro-2-methylcyclopentyl] benzoate
CID 58971981
[(2R,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[(4-ethoxyphenyl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] benzoate
CID 10312454
[(E)-2-[(2S,4R,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]phosphonic acid
CID 70899830
[2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] benzoate
CID 21059425
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 170334053
[2-(2,4-dioxopyrimidin-1-yl)-5-[[[hexoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] benzoate
CID 21059422
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59243561

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCOP(=O)(CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(COCc3ccccc3)c2=O)O1)OCC.C[Si](C)(C)I.O=C(O[C@H]1C[C@@H](OCP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O)c1ccccc1.O=c1ccn([C@@H]2O[C@H](OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]2O)c(=O)[nH]1.
What is the InChIKey of [(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?
The InChIKey is LMYOWOLSAXADNE-XRWYXRHLSA-N. The full InChI is InChI=1S/C28H33N2O10P.C16H17N2O9P.C9H15N2O14P3.C3H9ISi/c1-3-37-41(34,38-4-2)20-36-25-17-23(39-27(32)22-13-9-6-10-14-22)26(40-25)29-16-15-24(31)30(28(29)33)19-35-18-21-11-7-5-8-12-21;19-12-6-7-18(16(21)17-12)14-11(8-13(27-14)25-9-28(22,23)24)26-15(20)10-4-2-1-3-5-10;12-5-3-7(23-8(5)11-2-1-6(13)10-9(11)14)22-4-26(15,16)24-28(20,21)25-27(17,18)19;1-5(2,3)4/h5-16,23,25-26H,3-4,17-20H2,1-2H3;1-7,11,13-14H,8-9H2,(H,17,19,21)(H2,22,23,24);1-2,5,7-8,12H,3-4H2,(H,15,16)(H,20,21)(H,10,13,14)(H2,17,18,19);1-3H3/t23-,25-,26+;11-,13-,14+;5-,7-,8+;/m000./s1.
What are the key properties of [(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?
[(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 has a molecular weight of 1669.08 g/mol, XLogP of 4.84, 28 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 159397867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).