[tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate

C47H64O7Si — CID 102381255

IUPAC[tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate
SMILESC[C@@H]([C@@H]1CC[C@@H](C)O1)[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)C[C@@H]2CC[C@@H]([C@H](C)C(=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1)OCc1ccccc1
InChIInChI=1S/C47H64O7Si/c1-32-23-26-43(51-32)34(3)45(50-31-36-17-11-8-12-18-36)30-38-25-27-42(53-38)33(2)41(48)29-37-24-28-44(52-37)35(4)46(49)54-55(47(5,6)7,39-19-13-9-14-20-39)40-21-15-10-16-22-40/h8-22,32-35,37-38,42-45H,23-31H2,1-7H3/t32-,33+,34+,35+,37+,38+,42-,43+,44+,45-/m1/s1
InChIKeyRDZHCWLVVKKOKA-RDBCIQOASA-N
MW769.11 g/mol
LogP8.60
Rot. Bonds16

About [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate

[tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate (PubChem CID 102381255) has the molecular formula C47H64O7Si and a molecular weight of 769.11 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate
PubChem CID102381255
Molecular FormulaC47H64O7Si
Molecular Weight769.11 g/mol
Exact Mass768.44
IUPAC Name[tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate
SMILESC[C@@H]([C@@H]1CC[C@@H](C)O1)[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)C[C@@H]2CC[C@@H]([C@H](C)C(=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1)OCc1ccccc1
InChIInChI=1S/C47H64O7Si/c1-32-23-26-43(51-32)34(3)45(50-31-36-17-11-8-12-18-36)30-38-25-27-42(53-38)33(2)41(48)29-37-24-28-44(52-37)35(4)46(49)54-55(47(5,6)7,39-19-13-9-14-20-39)40-21-15-10-16-22-40/h8-22,32-35,37-38,42-45H,23-31H2,1-7H3/t32-,33+,34+,35+,37+,38+,42-,43+,44+,45-/m1/s1
InChIKeyRDZHCWLVVKKOKA-RDBCIQOASA-N
XLogP8.60
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.11
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate with MolForge

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Related Compounds

(4S,6R,7R)-7-[(2S,5R)-5-methyloxolan-2-yl]-6-phenylmethoxyoct-1-en-4-ol
CID 12003745
benzyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
CID 135023645
benzyl (2S)-2-[(2S,5R)-5-(3,3,3-trifluoro-2-hydroxypropyl)oxolan-2-yl]propanoate
CID 134838010
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-phenylmethoxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoate
CID 11620367
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
(4S)-2-(benzenesulfonyl)-1,4-bis[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-4-phenylmethoxybutan-1-ol
CID 11083606
benzyl (2S)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoyl]oxypentyl]oxolan-2-yl]propanoate
CID 177438704
3-(5-methyloxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103873100
[(2R,3S)-2-[(2S,5R)-5-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxolan-2-yl]hexan-3-yl] (2R)-2-[(2R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5S)-5-[(2R)-2-(dimethylamino)pentyl]oxolan-2-yl]hexan-2-yl]oxolan-2-yl]butanoate
CID 56933728
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 140818496

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate (CID 102381255) is [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate is C[C@@H]([C@@H]1CC[C@@H](C)O1)[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)C[C@@H]2CC[C@@H]([C@H](C)C(=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1)OCc1ccccc1.
What is the InChIKey of [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate?
The InChIKey is RDZHCWLVVKKOKA-RDBCIQOASA-N. The full InChI is InChI=1S/C47H64O7Si/c1-32-23-26-43(51-32)34(3)45(50-31-36-17-11-8-12-18-36)30-38-25-27-42(53-38)33(2)41(48)29-37-24-28-44(52-37)35(4)46(49)54-55(47(5,6)7,39-19-13-9-14-20-39)40-21-15-10-16-22-40/h8-22,32-35,37-38,42-45H,23-31H2,1-7H3/t32-,33+,34+,35+,37+,38+,42-,43+,44+,45-/m1/s1.
What are the key properties of [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate?
[tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate has a molecular weight of 769.11 g/mol, XLogP of 8.60, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] (2S)-2-[(2S,5S)-5-[(3R)-3-[(2R,5S)-5-[(2R,3R)-3-[(2S,5R)-5-methyloxolan-2-yl]-2-phenylmethoxybutyl]oxolan-2-yl]-2-oxobutyl]oxolan-2-yl]propanoate is sourced from PubChem (CID 102381255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).