[1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate

C37H44N6O10Si — CID 23984483

About [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate

[1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 23984483) has the molecular formula C37H44N6O10Si and a molecular weight of 760.88 g/mol. Its IUPAC name is [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

• Compound Name: [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate
• PubChem CID: 23984483
• Molecular Formula: C37H44N6O10Si
• Molecular Weight: 760.88 g/mol
• Exact Mass: 760.29
• IUPAC Name: [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate
• SMILES: CC(=O)OC1CC(=O)N1c1ccc(CN2C(=O)[C@]3(O[C@H](CCn4cc(CCO)nn4)[C@@H]([Si](C)(C)O)[C@@H]3C)c3cc(N4C(=O)CC4OC(C)=O)ccc32)cc1
• InChI: InChI=1S/C37H44N6O10Si/c1-21-35(54(4,5)50)30(12-14-40-20-25(13-15-44)38-39-40)53-37(21)28-16-27(43-32(48)18-34(43)52-23(3)46)10-11-29(28)41(36(37)49)19-24-6-8-26(9-7-24)42-31(47)17-33(42)51-22(2)45/h6-11,16,20-21,30,33-35,44,50H,12-15,17-19H2,1-5H3/t21-,30+,33?,34?,35-,37+/m0/s1
• InChIKey: OGFUTYGTGKYVEF-LHVLYQHISA-N
• XLogP: 2.50
• TPSA: 193.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.88
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate?

The IUPAC name of [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate (CID 23984483) is [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate.

What is the SMILES notation for [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate?

The canonical SMILES for [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate is CC(=O)OC1CC(=O)N1c1ccc(CN2C(=O)[C@]3(O[C@H](CCn4cc(CCO)nn4)[C@@H]([Si](C)(C)O)[C@@H]3C)c3cc(N4C(=O)CC4OC(C)=O)ccc32)cc1.

What is the InChIKey of [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate?

The InChIKey is OGFUTYGTGKYVEF-LHVLYQHISA-N. The full InChI is InChI=1S/C37H44N6O10Si/c1-21-35(54(4,5)50)30(12-14-40-20-25(13-15-44)38-39-40)53-37(21)28-16-27(43-32(48)18-34(43)52-23(3)46)10-11-29(28)41(36(37)49)19-24-6-8-26(9-7-24)42-31(47)17-33(42)51-22(2)45/h6-11,16,20-21,30,33-35,44,50H,12-15,17-19H2,1-5H3/t21-,30+,33?,34?,35-,37+/m0/s1.

What are the key properties of [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate?

[1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 760.88 g/mol, XLogP of 2.50, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[[(3R,3'R,4'S,5'R)-5-(2-acetyloxy-4-oxoazetidin-1-yl)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 23984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).