2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

About 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 23929872) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name	2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID	23929872
Molecular Formula	C22H35NO4Si
Molecular Weight	405.61 g/mol
Exact Mass	405.23
IUPAC Name	2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILES	C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@H]1CCc1ccccc1
InChI	InChI=1S/C22H35NO4Si/c1-16-19(12-11-17-8-5-4-6-9-17)27-20(22(16)28(2,3)26)14-21(25)23-13-7-10-18(23)15-24/h4-6,8-9,16,18-20,22,24,26H,7,10-15H2,1-3H3/t16-,18+,19+,20-,22+/m1/s1
InChIKey	FVHHIJCFLQMIBL-QQRBNAFBSA-N
XLogP	2.96
TPSA	70.00 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.61
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 23929872) is 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@H]1CCc1ccccc1.

What is the InChIKey of 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?

The InChIKey is FVHHIJCFLQMIBL-QQRBNAFBSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-16-19(12-11-17-8-5-4-6-9-17)27-20(22(16)28(2,3)26)14-21(25)23-13-7-10-18(23)15-24/h4-6,8-9,16,18-20,22,24,26H,7,10-15H2,1-3H3/t16-,18+,19+,20-,22+/m1/s1.

What are the key properties of 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?

2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 405.61 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23929872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).