(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one

C35H39N5O6Si — CID 23844506

About (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23844506) has the molecular formula C35H39N5O6Si and a molecular weight of 653.81 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23844506
• Molecular Formula: C35H39N5O6Si
• Molecular Weight: 653.81 g/mol
• Exact Mass: 653.27
• IUPAC Name: (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCn2cc([C@H](O)c3ccccc3)nn2)O[C@@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCOC3=O)cc12
• InChI: InChI=1S/C35H39N5O6Si/c1-23-32(47(2,3)44)30(16-17-38-22-28(36-37-38)31(41)25-12-8-5-9-13-25)46-35(23)27-20-26(39-18-19-45-34(39)43)14-15-29(27)40(33(35)42)21-24-10-6-4-7-11-24/h4-15,20,22-23,30-32,41,44H,16-19,21H2,1-3H3/t23-,30+,31-,32-,35+/m1/s1
• InChIKey: HQKJPVHIELTWRF-YUGCFENPSA-N
• XLogP: 4.75
• TPSA: 130.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.81
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23844506) is (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCn2cc([C@H](O)c3ccccc3)nn2)O[C@@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCOC3=O)cc12.

What is the InChIKey of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is HQKJPVHIELTWRF-YUGCFENPSA-N. The full InChI is InChI=1S/C35H39N5O6Si/c1-23-32(47(2,3)44)30(16-17-38-22-28(36-37-38)31(41)25-12-8-5-9-13-25)46-35(23)27-20-26(39-18-19-45-34(39)43)14-15-29(27)40(33(35)42)21-24-10-6-4-7-11-24/h4-15,20,22-23,30-32,41,44H,16-19,21H2,1-3H3/t23-,30+,31-,32-,35+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 653.81 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23844506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).