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

C40H75NO7Si3 — CID 54578143

IUPAC(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C40H75NO7Si3/c1-17-51(18-2,19-3)48-35(40(11,44-12)26-23-27-46-49(13,14)38(5,6)7)29-34(47-50(15,16)39(8,9)10)31(4)36(42)41-33(30-45-37(41)43)28-32-24-21-20-22-25-32/h20-22,24-25,31,33-35H,17-19,23,26-30H2,1-16H3/t31-,33-,34+,35-,40-/m1/s1
InChIKeyMCPAXJMEUSQEGJ-MVBZHHIZSA-N
MW766.30 g/mol
LogP10.59
Rot. Bonds20

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

(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one (PubChem CID 54578143) has the molecular formula C40H75NO7Si3 and a molecular weight of 766.30 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
PubChem CID54578143
Molecular FormulaC40H75NO7Si3
Molecular Weight766.30 g/mol
Exact Mass765.49
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C40H75NO7Si3/c1-17-51(18-2,19-3)48-35(40(11,44-12)26-23-27-46-49(13,14)38(5,6)7)29-34(47-50(15,16)39(8,9)10)31(4)36(42)41-33(30-45-37(41)43)28-32-24-21-20-22-25-32/h20-22,24-25,31,33-35H,17-19,23,26-30H2,1-16H3/t31-,33-,34+,35-,40-/m1/s1
InChIKeyMCPAXJMEUSQEGJ-MVBZHHIZSA-N
XLogP10.59
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.30
LogP ≤ 510.59
H-Bond Donors ≤ 50
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)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one (CID 54578143) is (4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-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)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[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)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MCPAXJMEUSQEGJ-MVBZHHIZSA-N. The full InChI is InChI=1S/C40H75NO7Si3/c1-17-51(18-2,19-3)48-35(40(11,44-12)26-23-27-46-49(13,14)38(5,6)7)29-34(47-50(15,16)39(8,9)10)31(4)36(42)41-33(30-45-37(41)43)28-32-24-21-20-22-25-32/h20-22,24-25,31,33-35H,17-19,23,26-30H2,1-16H3/t31-,33-,34+,35-,40-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 766.30 g/mol, XLogP of 10.59, 20 rotatable bonds, 0 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)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54578143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).