(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

C27H45NO7Si — CID 11145791

IUPAC(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
SMILESCOC[C@@H](C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H45NO7Si/c1-18(23(29)15-22(17-33-6)35-36(7,8)27(3,4)5)24(30)19(2)25(31)28-21(16-34-26(28)32)14-20-12-10-9-11-13-20/h9-13,18-19,21-24,29-30H,14-17H2,1-8H3/t18-,19+,21+,22+,23+,24-/m0/s1
InChIKeyFPXAOZIWZYRBPC-GGRBDDIJSA-N
MW523.74 g/mol
LogP4.00
Rot. Bonds12

About (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

(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 (PubChem CID 11145791) has the molecular formula C27H45NO7Si and a molecular weight of 523.74 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11145791
Molecular FormulaC27H45NO7Si
Molecular Weight523.74 g/mol
Exact Mass523.30
IUPAC Name(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
SMILESCOC[C@@H](C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H45NO7Si/c1-18(23(29)15-22(17-33-6)35-36(7,8)27(3,4)5)24(30)19(2)25(31)28-21(16-34-26(28)32)14-20-12-10-9-11-13-20/h9-13,18-19,21-24,29-30H,14-17H2,1-8H3/t18-,19+,21+,22+,23+,24-/m0/s1
InChIKeyFPXAOZIWZYRBPC-GGRBDDIJSA-N
XLogP4.00
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.74
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

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
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
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
(4S)-N-[(2S,4S,5R)-2,4-dimethyl-5-hydroxy-3-oxoheptanoyl]-4-benzyl-2-oxazolidinone
CID 56985563
(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-[(2S,3R)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 11439847
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@@H](C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (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?
The InChIKey is FPXAOZIWZYRBPC-GGRBDDIJSA-N. The full InChI is InChI=1S/C27H45NO7Si/c1-18(23(29)15-22(17-33-6)35-36(7,8)27(3,4)5)24(30)19(2)25(31)28-21(16-34-26(28)32)14-20-12-10-9-11-13-20/h9-13,18-19,21-24,29-30H,14-17H2,1-8H3/t18-,19+,21+,22+,23+,24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 523.74 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11145791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).