(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

C36H51NO7Si — CID 135023341

IUPAC(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
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C[C@H](CC[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C36H51NO7Si/c1-9-33(44-45(7,8)36(4,5)6)25(2)32(39)22-29(42-23-27-16-12-10-13-17-27)20-21-31(38)26(3)34(40)37-30(24-43-35(37)41)28-18-14-11-15-19-28/h9-19,25-26,29-31,33,38H,1,20-24H2,2-8H3/t25-,26-,29-,30+,31+,33-/m0/s1
InChIKeyCWDZAXQEQYMMIT-BPAHKXKNSA-N
MW637.89 g/mol
LogP7.24
Rot. Bonds16

About (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

(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 (PubChem CID 135023341) has the molecular formula C36H51NO7Si and a molecular weight of 637.89 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135023341
Molecular FormulaC36H51NO7Si
Molecular Weight637.89 g/mol
Exact Mass637.34
IUPAC Name(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
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C[C@H](CC[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C36H51NO7Si/c1-9-33(44-45(7,8)36(4,5)6)25(2)32(39)22-29(42-23-27-16-12-10-13-17-27)20-21-31(38)26(3)34(40)37-30(24-43-35(37)41)28-18-14-11-15-19-28/h9-19,25-26,29-31,33,38H,1,20-24H2,2-8H3/t25-,26-,29-,30+,31+,33-/m0/s1
InChIKeyCWDZAXQEQYMMIT-BPAHKXKNSA-N
XLogP7.24
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.89
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
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CID 176541129
(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102046797
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
tert-butyl 2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(3,5-difluorophenyl)methyl]-3-oxo-3-phenylmethoxypropyl]-4-hydroxypyrrolidine-1-carboxylate
CID 67316088
(2R,4R)-tert-butyl 2-((1S,2S)-2-(benzyloxycarbonyl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propyl)-4-hydroxypyrrolidine-1-carboxylate
CID 67316089
(4R)-3-[(2R,3R)-2-[(R)-hydroxy(phenyl)methyl]-3-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10928002
(4S)-4-phenyl-3-[(2S,3S,5S)-2,3,5-trimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
CID 11235569
(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
CID 25112697
(4R)-3-[(E,2R,3S,6S,7R)-7-[(4R,5S,6S)-6-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-1-ynyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-hydroxy-2-methyl-6-phenylmethoxyoct-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604330
(4R)-3-[(2R,3S,6S,7R)-3-hydroxy-7-[(4R,5R,6R)-6-[(3R,5S)-3-hydroxy-5-(methoxymethoxy)octyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-methyl-6-phenylmethoxyoctanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604331
(4R)-3-[(E,2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylhex-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 44604475

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C[C@H](CC[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1)OCc1ccccc1.
What is the InChIKey of (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?
The InChIKey is CWDZAXQEQYMMIT-BPAHKXKNSA-N. The full InChI is InChI=1S/C36H51NO7Si/c1-9-33(44-45(7,8)36(4,5)6)25(2)32(39)22-29(42-23-27-16-12-10-13-17-27)20-21-31(38)26(3)34(40)37-30(24-43-35(37)41)28-18-14-11-15-19-28/h9-19,25-26,29-31,33,38H,1,20-24H2,2-8H3/t25-,26-,29-,30+,31+,33-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 637.89 g/mol, XLogP of 7.24, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135023341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).