(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one

C34H61NO7Si2 — CID 54578142

IUPAC(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C34H61NO7Si2/c1-12-44(13-2,14-3)42-30(34(8,39-9)21-18-22-41-43(10,11)33(5,6)7)24-29(36)26(4)31(37)35-28(25-40-32(35)38)23-27-19-16-15-17-20-27/h15-17,19-20,26,28-30,36H,12-14,18,21-25H2,1-11H3/t26-,28-,29+,30-,34-/m1/s1
InChIKeyCJOHPLHSROPSAN-AWVJDWFHSA-N
MW652.03 g/mol
LogP7.56
Rot. Bonds18

About (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one (PubChem CID 54578142) has the molecular formula C34H61NO7Si2 and a molecular weight of 652.03 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
PubChem CID54578142
Molecular FormulaC34H61NO7Si2
Molecular Weight652.03 g/mol
Exact Mass651.40
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C34H61NO7Si2/c1-12-44(13-2,14-3)42-30(34(8,39-9)21-18-22-41-43(10,11)33(5,6)7)24-29(36)26(4)31(37)35-28(25-40-32(35)38)23-27-19-16-15-17-20-27/h15-17,19-20,26,28-30,36H,12-14,18,21-25H2,1-11H3/t26-,28-,29+,30-,34-/m1/s1
InChIKeyCJOHPLHSROPSAN-AWVJDWFHSA-N
XLogP7.56
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.03
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
tert-butyl 2-[(1S,5R)-5-[(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropyl]cyclopent-2-en-1-yl]acetate
CID 71479947
(4S)-4-benzyl-3-[(2R)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030321
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030324
(4S)-4-benzyl-3-[(2R)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030325
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
(4R)-4-benzyl-3-[(2R,3S,4R,5R)-3-hydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
CID 10962013
(4S)-3-[(2S,3aS,4R,5S,7aR)-2-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,6S,7S,8R,12R)-12-ethyl-7-methyl-2-oxo-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-oxacyclododec-4-yl]-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carbonyl]-4-benzyl-1,3-oxazolidin-2-one
CID 11094256
(4R)-4-benzyl-3-[(2R,3S,4S,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8-methoxy-2,4-dimethyloctanoyl]-1,3-oxazolidin-2-one
CID 11145791
(4R)-4-benzyl-3-[(E,2R,3S)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,6-dimethylnon-6-enoyl]-1,3-oxazolidin-2-one
CID 11283232
(E,2S,4R,5S,6S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-2,4,6,8-tetramethyldec-8-ene-1,3-dione
CID 16220684

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one (CID 54578142) is (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is CJOHPLHSROPSAN-AWVJDWFHSA-N. The full InChI is InChI=1S/C34H61NO7Si2/c1-12-44(13-2,14-3)42-30(34(8,39-9)21-18-22-41-43(10,11)33(5,6)7)24-29(36)26(4)31(37)35-28(25-40-32(35)38)23-27-19-16-15-17-20-27/h15-17,19-20,26,28-30,36H,12-14,18,21-25H2,1-11H3/t26-,28-,29+,30-,34-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 652.03 g/mol, XLogP of 7.56, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54578142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).