benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate

C34H53NO8Si2 — CID 164682215

IUPACbenzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H]([C@H](O)CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C34H53NO8Si2/c1-33(2,3)44(7,8)41-23-26-29(43-45(9,10)34(4,5)6)30(42-31(38)25-19-15-12-16-20-25)28(27(37)21-36)35(26)32(39)40-22-24-17-13-11-14-18-24/h11-20,26-30,36-37H,21-23H2,1-10H3/t26-,27-,28-,29-,30-/m1/s1
InChIKeyBQGWRWGZKORVQI-XZTOTZIXSA-N
MW659.97 g/mol
LogP6.37
Rot. Bonds11

About benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate

benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate (PubChem CID 164682215) has the molecular formula C34H53NO8Si2 and a molecular weight of 659.97 g/mol. Its IUPAC name is benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
PubChem CID164682215
Molecular FormulaC34H53NO8Si2
Molecular Weight659.97 g/mol
Exact Mass659.33
IUPAC Namebenzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H]([C@H](O)CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C34H53NO8Si2/c1-33(2,3)44(7,8)41-23-26-29(43-45(9,10)34(4,5)6)30(42-31(38)25-19-15-12-16-20-25)28(27(37)21-36)35(26)32(39)40-22-24-17-13-11-14-18-24/h11-20,26-30,36-37H,21-23H2,1-10H3/t26-,27-,28-,29-,30-/m1/s1
InChIKeyBQGWRWGZKORVQI-XZTOTZIXSA-N
XLogP6.37
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.97
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate (CID 164682215) is benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H]([C@H](O)CO)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate?
The InChIKey is BQGWRWGZKORVQI-XZTOTZIXSA-N. The full InChI is InChI=1S/C34H53NO8Si2/c1-33(2,3)44(7,8)41-23-26-29(43-45(9,10)34(4,5)6)30(42-31(38)25-19-15-12-16-20-25)28(27(37)21-36)35(26)32(39)40-22-24-17-13-11-14-18-24/h11-20,26-30,36-37H,21-23H2,1-10H3/t26-,27-,28-,29-,30-/m1/s1.
What are the key properties of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate?
benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate has a molecular weight of 659.97 g/mol, XLogP of 6.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 164682215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).