1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione

C64H90N4O12Si3 — CID 135032514

About 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 135032514) has the molecular formula C64H90N4O12Si3 and a molecular weight of 1191.70 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
• PubChem CID: 135032514
• Molecular Formula: C64H90N4O12Si3
• Molecular Weight: 1191.70 g/mol
• Exact Mass: 1190.59
• IUPAC Name: 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C[C@]3(C)CN([C@H]4C[C@@H](O)[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O4)C(=O)N(COCc4ccccc4)C3=O)c(=O)n(COCc3ccccc3)c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C64H90N4O12Si3/c1-61(2,3)81(11,12)76-42-54-52(80-82(13,14)62(4,5)6)36-56(79-54)65-38-48(57(70)67(59(65)72)44-74-39-46-27-19-15-20-28-46)37-64(10)43-66(60(73)68(58(64)71)45-75-40-47-29-21-16-22-30-47)55-35-51(69)53(78-55)41-77-83(63(7,8)9,49-31-23-17-24-32-49)50-33-25-18-26-34-50/h15-34,38,51-56,69H,35-37,39-45H2,1-14H3/t51-,52-,53-,54-,55-,56-,64-/m1/s1
• InChIKey: ONOHWMHRVDFVOU-NPIGGNFNSA-N
• XLogP: 9.92
• TPSA: 169.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.70
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 135032514) is 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C[C@]3(C)CN([C@H]4C[C@@H](O)[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O4)C(=O)N(COCc4ccccc4)C3=O)c(=O)n(COCc3ccccc3)c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

The InChIKey is ONOHWMHRVDFVOU-NPIGGNFNSA-N. The full InChI is InChI=1S/C64H90N4O12Si3/c1-61(2,3)81(11,12)76-42-54-52(80-82(13,14)62(4,5)6)36-56(79-54)65-38-48(57(70)67(59(65)72)44-74-39-46-27-19-15-20-28-46)37-64(10)43-66(60(73)68(58(64)71)45-75-40-47-29-21-16-22-30-47)55-35-51(69)53(78-55)41-77-83(63(7,8)9,49-31-23-17-24-32-49)50-33-25-18-26-34-50/h15-34,38,51-56,69H,35-37,39-45H2,1-14H3/t51-,52-,53-,54-,55-,56-,64-/m1/s1.

What are the key properties of 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione?

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 1191.70 g/mol, XLogP of 9.92, 22 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135032514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).