1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

C62H99FN8O19Si2 — CID 161491517

About 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 161491517) has the molecular formula C62H99FN8O19Si2 and a molecular weight of 1335.68 g/mol. Its IUPAC name is 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 161491517
• Molecular Formula: C62H99FN8O19Si2
• Molecular Weight: 1335.68 g/mol
• Exact Mass: 1334.65
• IUPAC Name: 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: C=C1[C@@H](C)[C@@H](CC)O[C@H]1n1ccc(OCC)nc1=O.CC1(F)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.CCOc1ccn([C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3C2(C)O)c(=O)n1.CCOc1ccn([C@@H]2O[C@H](CC)[C@H](C)C2(C)O)c(=O)n1
• InChI: InChI=1S/C24H44N2O7Si2.C14H22N2O4.C14H20N2O3.C10H13FN2O5/c1-11-29-20-12-13-26(23(27)25-20)22-24(10,28)21-19(31-22)14-30-34(15(2)3,16(4)5)33-35(32-21,17(6)7)18(8)9;1-5-10-9(3)14(4,18)12(20-10)16-8-7-11(19-6-2)15-13(16)17;1-5-11-9(3)10(4)13(19-11)16-8-7-12(18-6-2)15-14(16)17;1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h12-13,15-19,21-22,28H,11,14H2,1-10H3;7-10,12,18H,5-6H2,1-4H3;7-9,11,13H,4-6H2,1-3H3;2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t19-,21+,22-,24?;9-,10+,12+,14?;9-,11-,13-;5-,7+,8-,10?/m1011/s1
• InChIKey: WFQZYWOXWBZZMI-OMUBCQAGSA-N
• XLogP: 6.24
• TPSA: 332.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.68
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 161491517) is 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is C=C1[C@@H](C)[C@@H](CC)O[C@H]1n1ccc(OCC)nc1=O.CC1(F)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.CCOc1ccn([C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3C2(C)O)c(=O)n1.CCOc1ccn([C@@H]2O[C@H](CC)[C@H](C)C2(C)O)c(=O)n1.

What is the InChIKey of 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is WFQZYWOXWBZZMI-OMUBCQAGSA-N. The full InChI is InChI=1S/C24H44N2O7Si2.C14H22N2O4.C14H20N2O3.C10H13FN2O5/c1-11-29-20-12-13-26(23(27)25-20)22-24(10,28)21-19(31-22)14-30-34(15(2)3,16(4)5)33-35(32-21,17(6)7)18(8)9;1-5-10-9(3)14(4,18)12(20-10)16-8-7-11(19-6-2)15-13(16)17;1-5-11-9(3)10(4)13(19-11)16-8-7-12(18-6-2)15-14(16)17;1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h12-13,15-19,21-22,28H,11,14H2,1-10H3;7-10,12,18H,5-6H2,1-4H3;7-9,11,13H,4-6H2,1-3H3;2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t19-,21+,22-,24?;9-,10+,12+,14?;9-,11-,13-;5-,7+,8-,10?/m1011/s1.

What are the key properties of 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?

1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1335.68 g/mol, XLogP of 6.24, 17 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6aR,8R,9aS)-9-hydroxy-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxypyrimidin-2-one;4-ethoxy-1-[(2R,4S,5R)-5-ethyl-3-hydroxy-3,4-dimethyloxolan-2-yl]pyrimidin-2-one;4-ethoxy-1-[(2R,4R,5R)-5-ethyl-4-methyl-3-methylideneoxolan-2-yl]pyrimidin-2-one;1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 161491517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).