1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione

C25H44N4O7Si2 — CID 137323213

About 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione

1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione (PubChem CID 137323213) has the molecular formula C25H44N4O7Si2 and a molecular weight of 568.82 g/mol. Its IUPAC name is 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
• PubChem CID: 137323213
• Molecular Formula: C25H44N4O7Si2
• Molecular Weight: 568.82 g/mol
• Exact Mass: 568.27
• IUPAC Name: 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
• SMILES: Cc1cn([C@@H]2OC(CO[Si](C)(C)C(C)(C)C)C3(OC(=O)N=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O
• InChI: InChI=1S/C25H44N4O7Si2/c1-15-13-29(22(32)28(8)18(15)30)19-17(36-38(11,12)24(5,6)7)25(20(26)27-21(31)35-25)16(34-19)14-33-37(9,10)23(2,3)4/h13,16-17,19H,14H2,1-12H3,(H2,26,27,31)/t16?,17-,19+,25?/m0/s1
• InChIKey: QPMMAJWLXWPKMF-YUZDLGMYSA-N
• XLogP: 3.41
• TPSA: 136.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.82
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione?

The IUPAC name of 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione (CID 137323213) is 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione is Cc1cn([C@@H]2OC(CO[Si](C)(C)C(C)(C)C)C3(OC(=O)N=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O.

What is the InChIKey of 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione?

The InChIKey is QPMMAJWLXWPKMF-YUZDLGMYSA-N. The full InChI is InChI=1S/C25H44N4O7Si2/c1-15-13-29(22(32)28(8)18(15)30)19-17(36-38(11,12)24(5,6)7)25(20(26)27-21(31)35-25)16(34-19)14-33-37(9,10)23(2,3)4/h13,16-17,19H,14H2,1-12H3,(H2,26,27,31)/t16?,17-,19+,25?/m0/s1.

What are the key properties of 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione?

1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione has a molecular weight of 568.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 137323213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).