tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate

About tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 134875111) has the molecular formula C21H39NO8Si and a molecular weight of 461.63 g/mol. Its IUPAC name is tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID	134875111
Molecular Formula	C21H39NO8Si
Molecular Weight	461.63 g/mol
Exact Mass	461.24
IUPAC Name	tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILES	CC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChI	InChI=1S/C21H39NO8Si/c1-19(2,3)29-18(26)22-13(14(23)15(24)17(22)25)16(12-11-27-21(7,8)28-12)30-31(9,10)20(4,5)6/h12-16,23-24H,11H2,1-10H3/t12-,13?,14+,15+,16-/m0/s1
InChIKey	DJWBYGJWTSTOGH-SJRCDEAWSA-N
XLogP	2.40
TPSA	114.76 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (CID 134875111) is tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1.

What is the InChIKey of tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?

The InChIKey is DJWBYGJWTSTOGH-SJRCDEAWSA-N. The full InChI is InChI=1S/C21H39NO8Si/c1-19(2,3)29-18(26)22-13(14(23)15(24)17(22)25)16(12-11-27-21(7,8)28-12)30-31(9,10)20(4,5)6/h12-16,23-24H,11H2,1-10H3/t12-,13?,14+,15+,16-/m0/s1.

What are the key properties of tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?

tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 461.63 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 134875111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).