1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione

C29H56N2O6Si3 — CID 100987525

About 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 100987525) has the molecular formula C29H56N2O6Si3 and a molecular weight of 613.03 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 100987525
• Molecular Formula: C29H56N2O6Si3
• Molecular Weight: 613.03 g/mol
• Exact Mass: 612.34
• IUPAC Name: 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CC(C)(C)[Si](C)(C)OCCC1OC([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)CC1[Si](C)(C)C
• InChI: InChI=1S/C29H56N2O6Si3/c1-28(2,3)39(10,11)34-17-15-20-23(38(7,8)9)18-21(35-20)26-22(37-40(12,13)29(4,5)6)19-25(36-26)31-16-14-24(32)30-27(31)33/h14,16,20-23,25-26H,15,17-19H2,1-13H3,(H,30,32,33)/t20?,21?,22-,23?,25+,26+/m0/s1
• InChIKey: NLPNLLXGFVVVIR-LQSJDQHISA-N
• XLogP: 6.49
• TPSA: 91.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.03
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione (CID 100987525) is 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OCCC1OC([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)CC1[Si](C)(C)C.

What is the InChIKey of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is NLPNLLXGFVVVIR-LQSJDQHISA-N. The full InChI is InChI=1S/C29H56N2O6Si3/c1-28(2,3)39(10,11)34-17-15-20-23(38(7,8)9)18-21(35-20)26-22(37-40(12,13)29(4,5)6)19-25(36-26)31-16-14-24(32)30-27(31)33/h14,16,20-23,25-26H,15,17-19H2,1-13H3,(H,30,32,33)/t20?,21?,22-,23?,25+,26+/m0/s1.

What are the key properties of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione?

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 613.03 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyloxolan-2-yl]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 100987525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).