(1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

C30H45N3O5Si — CID 90236002

About (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

(1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (PubChem CID 90236002) has the molecular formula C30H45N3O5Si and a molecular weight of 555.79 g/mol. Its IUPAC name is (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
• PubChem CID: 90236002
• Molecular Formula: C30H45N3O5Si
• Molecular Weight: 555.79 g/mol
• Exact Mass: 555.31
• IUPAC Name: (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
• SMILES: COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC1CC1
• InChI: InChI=1S/C30H45N3O5Si/c1-31-13-12-28-19-29(10-11-30(28,36)25(31)16-22-8-9-23(37-2)17-24(22)28)26(34)32(20-38-14-15-39(3,4)5)27(35)33(29)18-21-6-7-21/h8-9,17,21,25,36H,6-7,10-16,18-20H2,1-5H3/t25-,28-,29+,30-/m1/s1
• InChIKey: RCZMHVYTOOPEBB-VFKOLLTISA-N
• XLogP: 3.83
• TPSA: 82.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.79
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (CID 90236002) is (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC1CC1.

What is the InChIKey of (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

The InChIKey is RCZMHVYTOOPEBB-VFKOLLTISA-N. The full InChI is InChI=1S/C30H45N3O5Si/c1-31-13-12-28-19-29(10-11-30(28,36)25(31)16-22-8-9-23(37-2)17-24(22)28)26(34)32(20-38-14-15-39(3,4)5)27(35)33(29)18-21-6-7-21/h8-9,17,21,25,36H,6-7,10-16,18-20H2,1-5H3/t25-,28-,29+,30-/m1/s1.

What are the key properties of (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

(1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione has a molecular weight of 555.79 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R,10S,13S)-1'-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 90236002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).