(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one

C30H40N4O5Si — CID 23984135

About (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23984135) has the molecular formula C30H40N4O5Si and a molecular weight of 564.76 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23984135
• Molecular Formula: C30H40N4O5Si
• Molecular Weight: 564.76 g/mol
• Exact Mass: 564.28
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)N(C)c1ccc(N3CN(c4ccccc4)C4(CCNCC4)C3=O)cc12
• InChI: InChI=1S/C30H40N4O5Si/c1-20-26(40(3,4)38)25(12-17-35)39-30(20)23-18-22(10-11-24(23)32(2)28(30)37)33-19-34(21-8-6-5-7-9-21)29(27(33)36)13-15-31-16-14-29/h5-11,18,20,25-26,31,35,38H,12-17,19H2,1-4H3/t20-,25+,26-,30+/m1/s1
• InChIKey: RJMPPSQGGHUYSG-HWSYBFSRSA-N
• XLogP: 2.78
• TPSA: 105.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.76
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
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)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23984135) is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)N(C)c1ccc(N3CN(c4ccccc4)C4(CCNCC4)C3=O)cc12.

What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is RJMPPSQGGHUYSG-HWSYBFSRSA-N. The full InChI is InChI=1S/C30H40N4O5Si/c1-20-26(40(3,4)38)25(12-17-35)39-30(20)23-18-22(10-11-24(23)32(2)28(30)37)33-19-34(21-8-6-5-7-9-21)29(27(33)36)13-15-31-16-14-29/h5-11,18,20,25-26,31,35,38H,12-17,19H2,1-4H3/t20-,25+,26-,30+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 564.76 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1,3'-dimethyl-5-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23984135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).