1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione

C22H42N2O8Si2 — CID 10052330

About 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione

1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione (PubChem CID 10052330) has the molecular formula C22H42N2O8Si2 and a molecular weight of 518.76 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione
• PubChem CID: 10052330
• Molecular Formula: C22H42N2O8Si2
• Molecular Weight: 518.76 g/mol
• Exact Mass: 518.25
• IUPAC Name: 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione
• SMILES: CC(C)[Si]1(C(C)C)OC[C@@H](O[C@H](CO)n2ccc(=O)[nH]c2=O)[C@@H](CO)O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C22H42N2O8Si2/c1-14(2)33(15(3)4)29-13-19(18(11-25)31-34(32-33,16(5)6)17(7)8)30-21(12-26)24-10-9-20(27)23-22(24)28/h9-10,14-19,21,25-26H,11-13H2,1-8H3,(H,23,27,28)/t18-,19-,21-/m1/s1
• InChIKey: NYNAHPYGKFXTHN-SFHLNBCPSA-N
• XLogP: 2.36
• TPSA: 132.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.76
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione (CID 10052330) is 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione is CC(C)[Si]1(C(C)C)OC[C@@H](O[C@H](CO)n2ccc(=O)[nH]c2=O)[C@@H](CO)O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione?

The InChIKey is NYNAHPYGKFXTHN-SFHLNBCPSA-N. The full InChI is InChI=1S/C22H42N2O8Si2/c1-14(2)33(15(3)4)29-13-19(18(11-25)31-34(32-33,16(5)6)17(7)8)30-21(12-26)24-10-9-20(27)23-22(24)28/h9-10,14-19,21,25-26H,11-13H2,1-8H3,(H,23,27,28)/t18-,19-,21-/m1/s1.

What are the key properties of 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione?

1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 518.76 g/mol, XLogP of 2.36, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-2-hydroxy-1-[[(6R,7R)-6-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilocan-7-yl]oxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10052330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).