(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one

C30H36N2O6Si — CID 23956299

About (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23956299) has the molecular formula C30H36N2O6Si and a molecular weight of 548.71 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23956299
• Molecular Formula: C30H36N2O6Si
• Molecular Weight: 548.71 g/mol
• Exact Mass: 548.23
• IUPAC Name: (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(C)c4ccc(-n5cccc(OC)c5=O)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C30H36N2O6Si/c1-19-27(39(5,6)22-12-10-21(36-3)11-13-22)25(15-17-33)38-30(19)23-18-20(9-14-24(23)31(2)29(30)35)32-16-7-8-26(37-4)28(32)34/h7-14,16,18-19,25,27,33H,15,17H2,1-6H3/t19-,25+,27-,30+/m1/s1
• InChIKey: LERYTVYLWXJTTI-NTNAXPLLSA-N
• XLogP: 3.43
• TPSA: 90.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.71
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one (CID 23956299) is (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one is COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(C)c4ccc(-n5cccc(OC)c5=O)cc43)[C@@H]2C)cc1.

What is the InChIKey of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?

The InChIKey is LERYTVYLWXJTTI-NTNAXPLLSA-N. The full InChI is InChI=1S/C30H36N2O6Si/c1-19-27(39(5,6)22-12-10-21(36-3)11-13-22)25(15-17-33)38-30(19)23-18-20(9-14-24(23)31(2)29(30)35)32-16-7-8-26(37-4)28(32)34/h7-14,16,18-19,25,27,33H,15,17H2,1-6H3/t19-,25+,27-,30+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 548.71 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23956299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).