(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one

C30H36N2O7Si — CID 23758834

About (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23758834) has the molecular formula C30H36N2O7Si and a molecular weight of 564.71 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23758834
• Molecular Formula: C30H36N2O7Si
• Molecular Weight: 564.71 g/mol
• Exact Mass: 564.23
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
• SMILES: COc1ccc2c(c1)[C@@]1(O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]1C)C(=O)N2Cc1cccc(-n2cccc(OC)c2=O)c1
• InChI: InChI=1S/C30H36N2O7Si/c1-19-27(40(4,5)36)25(13-15-33)39-30(19)23-17-22(37-2)11-12-24(23)32(29(30)35)18-20-8-6-9-21(16-20)31-14-7-10-26(38-3)28(31)34/h6-12,14,16-17,19,25,27,33,36H,13,15,18H2,1-5H3/t19-,25+,27-,30+/m0/s1
• InChIKey: MXIHQUFUQKBSCJ-MBMRHNPUSA-N
• XLogP: 3.58
• TPSA: 110.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.71
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one (CID 23758834) is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one is COc1ccc2c(c1)[C@@]1(O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]1C)C(=O)N2Cc1cccc(-n2cccc(OC)c2=O)c1.

What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The InChIKey is MXIHQUFUQKBSCJ-MBMRHNPUSA-N. The full InChI is InChI=1S/C30H36N2O7Si/c1-19-27(40(4,5)36)25(13-15-33)39-30(19)23-17-22(37-2)11-12-24(23)32(29(30)35)18-20-8-6-9-21(16-20)31-14-7-10-26(38-3)28(31)34/h6-12,14,16-17,19,25,27,33,36H,13,15,18H2,1-5H3/t19-,25+,27-,30+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 564.71 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-1-[[3-(3-methoxy-2-oxo-1-pyridinyl)phenyl]methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23758834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).