(3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal

C26H41NO8Si — CID 11306988

IUPAC(3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@H](CC=O)C[C@@H](OC)[C@H](OCOC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO8Si/c1-6-36(7-2,8-3)35-22(14-15-28)17-23(32-5)24(34-19-31-4)25(29)27-21(18-33-26(27)30)16-20-12-10-9-11-13-20/h9-13,15,21-24H,6-8,14,16-19H2,1-5H3/t21-,22+,23+,24-/m0/s1
InChIKeyYWLJRJSBQAQRNN-KEZOAJOQSA-N
MW523.70 g/mol
LogP3.95
Rot. Bonds17

About (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal

(3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal (PubChem CID 11306988) has the molecular formula C26H41NO8Si and a molecular weight of 523.70 g/mol. Its IUPAC name is (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal.

Molecular Properties

Compound Name(3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal
PubChem CID11306988
Molecular FormulaC26H41NO8Si
Molecular Weight523.70 g/mol
Exact Mass523.26
IUPAC Name(3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@H](CC=O)C[C@@H](OC)[C@H](OCOC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO8Si/c1-6-36(7-2,8-3)35-22(14-15-28)17-23(32-5)24(34-19-31-4)25(29)27-21(18-33-26(27)30)16-20-12-10-9-11-13-20/h9-13,15,21-24H,6-8,14,16-19H2,1-5H3/t21-,22+,23+,24-/m0/s1
InChIKeyYWLJRJSBQAQRNN-KEZOAJOQSA-N
XLogP3.95
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal?
The IUPAC name of (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal (CID 11306988) is (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal.
What is the SMILES notation for (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal?
The canonical SMILES for (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal is CC[Si](CC)(CC)O[C@H](CC=O)C[C@@H](OC)[C@H](OCOC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal?
The InChIKey is YWLJRJSBQAQRNN-KEZOAJOQSA-N. The full InChI is InChI=1S/C26H41NO8Si/c1-6-36(7-2,8-3)35-22(14-15-28)17-23(32-5)24(34-19-31-4)25(29)27-21(18-33-26(27)30)16-20-12-10-9-11-13-20/h9-13,15,21-24H,6-8,14,16-19H2,1-5H3/t21-,22+,23+,24-/m0/s1.
What are the key properties of (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal?
(3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal has a molecular weight of 523.70 g/mol, XLogP of 3.95, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-methoxy-6-(methoxymethoxy)-7-oxo-3-triethylsilyloxyheptanal is sourced from PubChem (CID 11306988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).