methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate

C38H49N5O9Si — CID 23983873

About methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate

methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate (PubChem CID 23983873) has the molecular formula C38H49N5O9Si and a molecular weight of 747.92 g/mol. Its IUPAC name is methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate.

Molecular Properties

• Compound Name: methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate
• PubChem CID: 23983873
• Molecular Formula: C38H49N5O9Si
• Molecular Weight: 747.92 g/mol
• Exact Mass: 747.33
• IUPAC Name: methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate
• SMILES: COC(=O)CCCCN1C(=O)[C@]2(O[C@H](CCn3cc(CCO)nn3)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(N3C(=O)CC3OC(C)=O)ccc21
• InChI: InChI=1S/C38H49N5O9Si/c1-24-36(53(5,6)29-13-11-28(49-3)12-14-29)32(16-19-41-23-26(17-20-44)39-40-41)52-38(24)30-21-27(43-33(46)22-34(43)51-25(2)45)10-15-31(30)42(37(38)48)18-8-7-9-35(47)50-4/h10-15,21,23-24,32,34,36,44H,7-9,16-20,22H2,1-6H3/t24-,32+,34?,36-,38+/m0/s1
• InChIKey: VORXJYLZOQBSLA-SDMYQHNRSA-N
• XLogP: 3.44
• TPSA: 162.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.92
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The IUPAC name of methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate (CID 23983873) is methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate.

What is the SMILES notation for methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The canonical SMILES for methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate is COC(=O)CCCCN1C(=O)[C@]2(O[C@H](CCn3cc(CCO)nn3)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(N3C(=O)CC3OC(C)=O)ccc21.

What is the InChIKey of methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The InChIKey is VORXJYLZOQBSLA-SDMYQHNRSA-N. The full InChI is InChI=1S/C38H49N5O9Si/c1-24-36(53(5,6)29-13-11-28(49-3)12-14-29)32(16-19-41-23-26(17-20-44)39-40-41)52-38(24)30-21-27(43-33(46)22-34(43)51-25(2)45)10-15-31(30)42(37(38)48)18-8-7-9-35(47)50-4/h10-15,21,23-24,32,34,36,44H,7-9,16-20,22H2,1-6H3/t24-,32+,34?,36-,38+/m0/s1.

What are the key properties of methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate has a molecular weight of 747.92 g/mol, XLogP of 3.44, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate is sourced from PubChem (CID 23983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).