(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C39H61NO8Si — CID 135023491

IUPAC(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)C[C@@H]2CC[C@@H]([C@H](C)C(=O)N3C(=O)OC[C@@H]3c3ccccc3)O2)O1)[C@@H](C)[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C39H61NO8Si/c1-8-49(9-2,10-3)48-37(27(6)35-19-16-25(4)45-35)23-31-18-20-34(47-31)26(5)33(41)22-30-17-21-36(46-30)28(7)38(42)40-32(24-44-39(40)43)29-14-12-11-13-15-29/h11-15,25-28,30-32,34-37H,8-10,16-24H2,1-7H3/t25-,26+,27+,28+,30+,31+,32-,34-,35+,36+,37-/m1/s1
InChIKeyUQNMSNBSASOBIQ-ZEDMFGHDSA-N
MW700.00 g/mol
LogP8.02
Rot. Bonds16

About (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 135023491) has the molecular formula C39H61NO8Si and a molecular weight of 700.00 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID135023491
Molecular FormulaC39H61NO8Si
Molecular Weight700.00 g/mol
Exact Mass699.42
IUPAC Name(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)C[C@@H]2CC[C@@H]([C@H](C)C(=O)N3C(=O)OC[C@@H]3c3ccccc3)O2)O1)[C@@H](C)[C@@H]1CC[C@@H](C)O1
InChIInChI=1S/C39H61NO8Si/c1-8-49(9-2,10-3)48-37(27(6)35-19-16-25(4)45-35)23-31-18-20-34(47-31)26(5)33(41)22-30-17-21-36(46-30)28(7)38(42)40-32(24-44-39(40)43)29-14-12-11-13-15-29/h11-15,25-28,30-32,34-37H,8-10,16-24H2,1-7H3/t25-,26+,27+,28+,30+,31+,32-,34-,35+,36+,37-/m1/s1
InChIKeyUQNMSNBSASOBIQ-ZEDMFGHDSA-N
XLogP8.02
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.00
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-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
(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
(4S)-3-[(2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11588284
(4R)-3-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604405
(4R)-3-[(2S)-2-[(2R,5S)-5-[(2S,3S)-3-hydroxyhexan-2-yl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604407
(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-2-hydroxy-3-[(2S,5R)-5-methyloxolan-2-yl]butyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59052188
[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-1-[(2S,5R)-5-[(2R)-3-oxo-4-[(2S,5S)-5-[(2S)-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propan-2-yl]oxolan-2-yl]butan-2-yl]oxolan-2-yl]butan-2-yl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate
CID 59052190
(4S)-3-[(2S)-2-[(2S)-oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102386102
(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-(methoxymethoxy)-4-methylheptanoyl]-1,3-oxazolidin-2-one
CID 135012010
(2S,3R,6S,9R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,9-dimethyl-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-6-phenylmethoxydodec-11-ene-1,8-dione
CID 135023341
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enoyl]-1,3-oxazolidin-2-one
CID 146161737
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylpyrrolidine-1-carboxylate
CID 168303660

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 135023491) is (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)C[C@@H]2CC[C@@H]([C@H](C)C(=O)N3C(=O)OC[C@@H]3c3ccccc3)O2)O1)[C@@H](C)[C@@H]1CC[C@@H](C)O1.
What is the InChIKey of (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UQNMSNBSASOBIQ-ZEDMFGHDSA-N. The full InChI is InChI=1S/C39H61NO8Si/c1-8-49(9-2,10-3)48-37(27(6)35-19-16-25(4)45-35)23-31-18-20-34(47-31)26(5)33(41)22-30-17-21-36(46-30)28(7)38(42)40-32(24-44-39(40)43)29-14-12-11-13-15-29/h11-15,25-28,30-32,34-37H,8-10,16-24H2,1-7H3/t25-,26+,27+,28+,30+,31+,32-,34-,35+,36+,37-/m1/s1.
What are the key properties of (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 700.00 g/mol, XLogP of 8.02, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-triethylsilyloxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135023491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).