N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate

C29H49N4O11SSi2- — CID 57360439

About N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate

N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate (PubChem CID 57360439) has the molecular formula C29H49N4O11SSi2- and a molecular weight of 717.97 g/mol. Its IUPAC name is N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate
• PubChem CID: 57360439
• Molecular Formula: C29H49N4O11SSi2-
• Molecular Weight: 717.97 g/mol
• Exact Mass: 717.27
• IUPAC Name: N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate
• SMILES: CCN(C(=O)[O-])C(=O)NC1=CS(=O)(=O)OC12C(CO[Si](C)(C)C(C)(C)C)O[C@@H](n1cc(C)c(=O)n(C)c1=O)[C@@H]2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C29H50N4O11SSi2/c1-14-32(26(37)38)24(35)30-19-17-45(39,40)44-29(19)20(16-41-46(10,11)27(3,4)5)42-23(21(29)43-47(12,13)28(6,7)8)33-15-18(2)22(34)31(9)25(33)36/h15,17,20-21,23H,14,16H2,1-13H3,(H,30,35)(H,37,38)/p-1/t20?,21-,23+,29?/m0/s1
• InChIKey: YGBMGSMLSQUZEA-UCKDEZSISA-M
• XLogP: 2.48
• TPSA: 187.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.97
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate?

The IUPAC name of N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate (CID 57360439) is N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate.

What is the SMILES notation for N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate?

The canonical SMILES for N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate is CCN(C(=O)[O-])C(=O)NC1=CS(=O)(=O)OC12C(CO[Si](C)(C)C(C)(C)C)O[C@@H](n1cc(C)c(=O)n(C)c1=O)[C@@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate?

The InChIKey is YGBMGSMLSQUZEA-UCKDEZSISA-M. The full InChI is InChI=1S/C29H50N4O11SSi2/c1-14-32(26(37)38)24(35)30-19-17-45(39,40)44-29(19)20(16-41-46(10,11)27(3,4)5)42-23(21(29)43-47(12,13)28(6,7)8)33-15-18(2)22(34)31(9)25(33)36/h15,17,20-21,23H,14,16H2,1-13H3,(H,30,35)(H,37,38)/p-1/t20?,21-,23+,29?/m0/s1.

What are the key properties of N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate?

N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate has a molecular weight of 717.97 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]-N-ethylcarbamate is sourced from PubChem (CID 57360439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).