(4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one

C33H41NO6Si — CID 67747301

IUPAC(4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C33H41NO6Si/c1-24(31(36)34-26(22-39-32(34)37)21-25-15-9-6-10-16-25)30(35)29(38-5)23-40-41(33(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,24,26,29-30,35H,21-23H2,1-5H3/t24-,26-,29-,30-/m0/s1
InChIKeyJTEUKFNNCSNYOJ-YZNHBJMQSA-N
MW575.78 g/mol
LogP4.17
Rot. Bonds11

About (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 67747301) has the molecular formula C33H41NO6Si and a molecular weight of 575.78 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID67747301
Molecular FormulaC33H41NO6Si
Molecular Weight575.78 g/mol
Exact Mass575.27
IUPAC Name(4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C33H41NO6Si/c1-24(31(36)34-26(22-39-32(34)37)21-25-15-9-6-10-16-25)30(35)29(38-5)23-40-41(33(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,24,26,29-30,35H,21-23H2,1-5H3/t24-,26-,29-,30-/m0/s1
InChIKeyJTEUKFNNCSNYOJ-YZNHBJMQSA-N
XLogP4.17
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one (CID 67747301) is (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one is CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JTEUKFNNCSNYOJ-YZNHBJMQSA-N. The full InChI is InChI=1S/C33H41NO6Si/c1-24(31(36)34-26(22-39-32(34)37)21-25-15-9-6-10-16-25)30(35)29(38-5)23-40-41(33(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,24,26,29-30,35H,21-23H2,1-5H3/t24-,26-,29-,30-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 575.78 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methoxy-2-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67747301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).