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

C34H61NO7Si2 — CID 54577486

IUPAC(4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one
SMILESCO[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)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H61NO7Si2/c1-25(30(37)35-27(24-40-31(35)38)22-26-18-15-14-16-19-26)28(36)23-29(39-9)34(8,42-44(12,13)33(5,6)7)20-17-21-41-43(10,11)32(2,3)4/h14-16,18-19,25,27-29,36H,17,20-24H2,1-13H3/t25-,27-,28+,29-,34-/m1/s1
InChIKeyNRGBZGHETPLZSP-AWKMMQKESA-N
MW652.03 g/mol
LogP7.56
Rot. Bonds15

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

(4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one (PubChem CID 54577486) 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)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one
PubChem CID54577486
Molecular FormulaC34H61NO7Si2
Molecular Weight652.03 g/mol
Exact Mass651.40
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one
SMILESCO[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)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H61NO7Si2/c1-25(30(37)35-27(24-40-31(35)38)22-26-18-15-14-16-19-26)28(36)23-29(39-9)34(8,42-44(12,13)33(5,6)7)20-17-21-41-43(10,11)32(2,3)4/h14-16,18-19,25,27-29,36H,17,20-24H2,1-13H3/t25-,27-,28+,29-,34-/m1/s1
InChIKeyNRGBZGHETPLZSP-AWKMMQKESA-N
XLogP7.56
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
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)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-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)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one (CID 54577486) is (4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one is CO[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)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is NRGBZGHETPLZSP-AWKMMQKESA-N. The full InChI is InChI=1S/C34H61NO7Si2/c1-25(30(37)35-27(24-40-31(35)38)22-26-18-15-14-16-19-26)28(36)23-29(39-9)34(8,42-44(12,13)33(5,6)7)20-17-21-41-43(10,11)32(2,3)4/h14-16,18-19,25,27-29,36H,17,20-24H2,1-13H3/t25-,27-,28+,29-,34-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,5R,6R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 652.03 g/mol, XLogP of 7.56, 15 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)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54577486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).