methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate

C26H41NO6Si — CID 58610451

IUPACmethyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate
SMILESCOC(=O)[C@H](C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO6Si/c1-17(18(2)24(29)31-7)22(33-34(8,9)26(4,5)6)19(3)23(28)27-21(16-32-25(27)30)15-20-13-11-10-12-14-20/h10-14,17-19,21-22H,15-16H2,1-9H3/t17-,18-,19+,21+,22-/m1/s1
InChIKeyQEPXZHAEIOMDDL-PIBZIWMISA-N
MW491.70 g/mol
LogP5.05
Rot. Bonds9

About methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate

methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate (PubChem CID 58610451) has the molecular formula C26H41NO6Si and a molecular weight of 491.70 g/mol. Its IUPAC name is methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate.

Molecular Properties

Compound Namemethyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate
PubChem CID58610451
Molecular FormulaC26H41NO6Si
Molecular Weight491.70 g/mol
Exact Mass491.27
IUPAC Namemethyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate
SMILESCOC(=O)[C@H](C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO6Si/c1-17(18(2)24(29)31-7)22(33-34(8,9)26(4,5)6)19(3)23(28)27-21(16-32-25(27)30)15-20-13-11-10-12-14-20/h10-14,17-19,21-22H,15-16H2,1-9H3/t17-,18-,19+,21+,22-/m1/s1
InChIKeyQEPXZHAEIOMDDL-PIBZIWMISA-N
XLogP5.05
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.70
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate?
The IUPAC name of methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate (CID 58610451) is methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate.
What is the SMILES notation for methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate?
The canonical SMILES for methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate is COC(=O)[C@H](C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate?
The InChIKey is QEPXZHAEIOMDDL-PIBZIWMISA-N. The full InChI is InChI=1S/C26H41NO6Si/c1-17(18(2)24(29)31-7)22(33-34(8,9)26(4,5)6)19(3)23(28)27-21(16-32-25(27)30)15-20-13-11-10-12-14-20/h10-14,17-19,21-22H,15-16H2,1-9H3/t17-,18-,19+,21+,22-/m1/s1.
What are the key properties of methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate?
methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate has a molecular weight of 491.70 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4R,5S)-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2,3,5-trimethyl-6-oxohexanoate is sourced from PubChem (CID 58610451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).