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

C33H51NO7Si2 — CID 146164271

IUPACbenzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)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](CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C33H51NO7Si2/c1-32(2,3)42(7,8)39-23-27-29(41-43(9,10)33(4,5)6)28(40-30(36)25-19-15-12-16-20-25)26(21-35)34(27)31(37)38-22-24-17-13-11-14-18-24/h11-20,26-29,35H,21-23H2,1-10H3/t26-,27+,28+,29+/m0/s1
InChIKeyMUGKTTLORRDTGO-AMSOURPBSA-N
MW629.94 g/mol
LogP7.01
Rot. Bonds10

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

benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 146164271) has the molecular formula C33H51NO7Si2 and a molecular weight of 629.94 g/mol. Its IUPAC name is benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID146164271
Molecular FormulaC33H51NO7Si2
Molecular Weight629.94 g/mol
Exact Mass629.32
IUPAC Namebenzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)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](CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C33H51NO7Si2/c1-32(2,3)42(7,8)39-23-27-29(41-43(9,10)33(4,5)6)28(40-30(36)25-19-15-12-16-20-25)26(21-35)34(27)31(37)38-22-24-17-13-11-14-18-24/h11-20,26-29,35H,21-23H2,1-10H3/t26-,27+,28+,29+/m0/s1
InChIKeyMUGKTTLORRDTGO-AMSOURPBSA-N
XLogP7.01
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.94
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

tert-butyl (2S,3R,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 11330957
tert-butyl (2S,3R,4R)-4-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 11397598
tert-butyl (2S,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethylidene)pyrrolidine-1-carboxylate
CID 11467584
benzyl (2S,4S)-2-(benzoyloxymethyl)-3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate
CID 135016957
(2R,3R,4R)-3-Benzoyloxy-N-benzyloxycarbonyl-2-fluoromethyl-4-hydroxy-pyrrolidine
CID 67157509
(2R,3S,4R)-4-[3,5-bis(trifluoromethyl)benzoyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-fluorophenyl)pyrrolidine-1-carboxylic acid
CID 87673734
4-[3,5-Bis(trifluoromethyl)benzoyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylpyrrolidine-1-carboxylic acid
CID 87692297
Tert-butyl 4-[3,5-bis(trifluoromethyl)benzoyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylpyrrolidine-1-carboxylate
CID 143517556
[(1S,2R)-2-benzoyloxy-3-[2-(4-hydroxy-2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohex-3-en-1-yl] benzoate
CID 11026765
tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate
CID 11376588
tert-butyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
CID 11546863
[(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutyl] benzoate
CID 12169285

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 146164271) is benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)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](CO)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is MUGKTTLORRDTGO-AMSOURPBSA-N. The full InChI is InChI=1S/C33H51NO7Si2/c1-32(2,3)42(7,8)39-23-27-29(41-43(9,10)33(4,5)6)28(40-30(36)25-19-15-12-16-20-25)26(21-35)34(27)31(37)38-22-24-17-13-11-14-18-24/h11-20,26-29,35H,21-23H2,1-10H3/t26-,27+,28+,29+/m0/s1.
What are the key properties of benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate?
benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 629.94 g/mol, XLogP of 7.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 146164271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).