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

C24H30INO5Si — CID 23901448

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

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1-[(3-iodophenyl)methyl]-5-methoxy-3'-methylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23901448) has the molecular formula C24H30INO5Si and a molecular weight of 567.50 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1-[(3-iodophenyl)methyl]-5-methoxy-3'-methylspiro[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-iodophenyl)methyl]-5-methoxy-3'-methylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23901448
• Molecular Formula: C24H30INO5Si
• Molecular Weight: 567.50 g/mol
• Exact Mass: 567.09
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1-[(3-iodophenyl)methyl]-5-methoxy-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(I)c1
• InChI: InChI=1S/C24H30INO5Si/c1-15-22(32(3,4)29)21(10-11-27)31-24(15)19-13-18(30-2)8-9-20(19)26(23(24)28)14-16-6-5-7-17(25)12-16/h5-9,12-13,15,21-22,27,29H,10-11,14H2,1-4H3/t15-,21+,22-,24+/m1/s1
• InChIKey: ZLZCZWRFOSUPBR-VOMKPBAISA-N
• XLogP: 4.03
• TPSA: 79.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.50
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodophenyl)methyl]-5-methoxy-3'-methylspiro[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-iodophenyl)methyl]-5-methoxy-3'-methylspiro[indole-3,2'-oxolane]-2-one (CID 23901448) is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1-[(3-iodophenyl)methyl]-5-methoxy-3'-methylspiro[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-iodophenyl)methyl]-5-methoxy-3'-methylspiro[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-iodophenyl)methyl]-5-methoxy-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(I)c1.

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

The InChIKey is ZLZCZWRFOSUPBR-VOMKPBAISA-N. The full InChI is InChI=1S/C24H30INO5Si/c1-15-22(32(3,4)29)21(10-11-27)31-24(15)19-13-18(30-2)8-9-20(19)26(23(24)28)14-16-6-5-7-17(25)12-16/h5-9,12-13,15,21-22,27,29H,10-11,14H2,1-4H3/t15-,21+,22-,24+/m1/s1.

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

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-1-[(3-iodophenyl)methyl]-5-methoxy-3'-methylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 567.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-iodophenyl)methyl]-5-methoxy-3'-methylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23901448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).