(4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one

C41H77NO7Si3 — CID 135043550

IUPAC(4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-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)(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C41H77NO7Si3/c1-18-52(19-2,20-3)49-36(41(12,45-13)28-31(4)29-47-50(14,15)39(6,7)8)27-35(48-51(16,17)40(9,10)11)32(5)37(43)42-34(30-46-38(42)44)26-33-24-22-21-23-25-33/h21-25,31-32,34-36H,18-20,26-30H2,1-17H3/t31-,32-,34-,35+,36-,41-/m1/s1
InChIKeyVCSOFYHMWVVMKF-VDUMYCOESA-N
MW780.32 g/mol
LogP10.84
Rot. Bonds20

About (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one (PubChem CID 135043550) has the molecular formula C41H77NO7Si3 and a molecular weight of 780.32 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
PubChem CID135043550
Molecular FormulaC41H77NO7Si3
Molecular Weight780.32 g/mol
Exact Mass779.50
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-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)(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C41H77NO7Si3/c1-18-52(19-2,20-3)49-36(41(12,45-13)28-31(4)29-47-50(14,15)39(6,7)8)27-35(48-51(16,17)40(9,10)11)32(5)37(43)42-34(30-46-38(42)44)26-33-24-22-21-23-25-33/h21-25,31-32,34-36H,18-20,26-30H2,1-17H3/t31-,32-,34-,35+,36-,41-/m1/s1
InChIKeyVCSOFYHMWVVMKF-VDUMYCOESA-N
XLogP10.84
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.32
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
Tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815845
2-(R)-[2-(S)-benzyl-1-(S)-(tert-butyl-dimethylsilanyloxy)-3-(4-(S)-isopropyl-2-oxo-oxazolidin-3-yl)-3-oxopropyl]-4-(R)-fluoropyrrolidine-1-carboxylic acid tert-butyl ester
CID 68815846
tert-butyl 2-[(1S,2S)-2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815848
(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
(4S)-4-benzyl-3-[(2E,5S,7E,9E)-5-[tert-butyl(dimethyl)silyl]oxy-10-[(4R,6S,7S,8R,12R)-12-ethyl-7-methyl-2-oxo-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-oxacyclododec-4-yl]deca-2,7,9-trienoyl]-1,3-oxazolidin-2-one
CID 10920162
(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
(4S)-4-benzyl-3-[(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-hydroxy-4-methylheptanoyl]-1,3-oxazolidin-2-one
CID 25053808

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one (CID 135043550) is (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-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)(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VCSOFYHMWVVMKF-VDUMYCOESA-N. The full InChI is InChI=1S/C41H77NO7Si3/c1-18-52(19-2,20-3)49-36(41(12,45-13)28-31(4)29-47-50(14,15)39(6,7)8)27-35(48-51(16,17)40(9,10)11)32(5)37(43)42-34(30-46-38(42)44)26-33-24-22-21-23-25-33/h21-25,31-32,34-36H,18-20,26-30H2,1-17H3/t31-,32-,34-,35+,36-,41-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,5R,6R,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 780.32 g/mol, XLogP of 10.84, 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,8R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6,8-trimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135043550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).