tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

C30H41NO7Si — CID 11800911

IUPACtert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@H]1OC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C30H41NO7Si/c1-29(2,3)38-28(35)31-20(17-18-23(31)26-24(32)25(33)27(34)37-26)19-36-39(30(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-26,32-33H,17-19H2,1-6H3/t20-,23-,24-,25+,26+/m0/s1
InChIKeyWACAHQXREDCGRW-OZJWZVNMSA-N
MW555.74 g/mol
LogP2.98
Rot. Bonds6

About tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11800911) has the molecular formula C30H41NO7Si and a molecular weight of 555.74 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
PubChem CID11800911
Molecular FormulaC30H41NO7Si
Molecular Weight555.74 g/mol
Exact Mass555.27
IUPAC Nametert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@H]1OC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C30H41NO7Si/c1-29(2,3)38-28(35)31-20(17-18-23(31)26-24(32)25(33)27(34)37-26)19-36-39(30(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-26,32-33H,17-19H2,1-6H3/t20-,23-,24-,25+,26+/m0/s1
InChIKeyWACAHQXREDCGRW-OZJWZVNMSA-N
XLogP2.98
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10507267
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(1S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10650695
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1,2-dicarboxylate
CID 69869540
ditert-butyl (2R,4S,5R)-5-[3-[tert-butyl(diphenyl)silyl]oxy-2-ethoxy-1-hydroxypropyl]-4-[(Z)-prop-1-enyl]pyrrolidine-1,2-dicarboxylate
CID 142058970
ditert-butyl (2R,4S,5R)-5-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypropanoyl]-4-[(Z)-prop-1-enyl]pyrrolidine-1,2-dicarboxylate
CID 142058980
ditert-butyl (2R,4S,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypropanoyl]-4-[(Z)-prop-1-enyl]pyrrolidine-1,2-dicarboxylate
CID 142059091
(3S,6R,7R,8R,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,7,8-trihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10503962
tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 10839786
tert-butyl (3R,3aR,6aR)-3-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-oxo-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-2-carboxylate
CID 56648828
(3R,3aR,6aR)-3-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2-methyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 56648830
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-3-methyl-1,3-oxazolidin-2-one
CID 56648925
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 100970004

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (CID 11800911) is tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@H]1OC(=O)[C@H](O)[C@@H]1O.
What is the InChIKey of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is WACAHQXREDCGRW-OZJWZVNMSA-N. The full InChI is InChI=1S/C30H41NO7Si/c1-29(2,3)38-28(35)31-20(17-18-23(31)26-24(32)25(33)27(34)37-26)19-36-39(30(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-26,32-33H,17-19H2,1-6H3/t20-,23-,24-,25+,26+/m0/s1.
What are the key properties of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 555.74 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11800911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).