(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one

C30H33I2NO4Si — CID 23815704

About (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23815704) has the molecular formula C30H33I2NO4Si and a molecular weight of 753.49 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23815704
• Molecular Formula: C30H33I2NO4Si
• Molecular Weight: 753.49 g/mol
• Exact Mass: 753.03
• IUPAC Name: (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4ccc(I)cc4)c4ccc(I)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C30H33I2NO4Si/c1-19-28(38(3,4)24-12-10-23(36-2)11-13-24)27(15-16-34)37-30(19)25-17-22(32)9-14-26(25)33(29(30)35)18-20-5-7-21(31)8-6-20/h5-14,17,19,27-28,34H,15-16,18H2,1-4H3/t19-,27+,28-,30+/m1/s1
• InChIKey: FIAJUHULKNRYPS-ZHXDRHQTSA-N
• XLogP: 6.05
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.49
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one (CID 23815704) is (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one is COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4ccc(I)cc4)c4ccc(I)cc43)[C@@H]2C)cc1.

What is the InChIKey of (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one?

The InChIKey is FIAJUHULKNRYPS-ZHXDRHQTSA-N. The full InChI is InChI=1S/C30H33I2NO4Si/c1-19-28(38(3,4)24-12-10-23(36-2)11-13-24)27(15-16-34)37-30(19)25-17-22(32)9-14-26(25)33(29(30)35)18-20-5-7-21(31)8-6-20/h5-14,17,19,27-28,34H,15-16,18H2,1-4H3/t19-,27+,28-,30+/m1/s1.

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

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 753.49 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23815704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).