[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

C26H54O7Si2 — CID 59916207

IUPAC[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCO[C@@H]1[C@@H](O)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O7Si2/c1-24(2,3)23(28)30-17-20-21(27)22(29-10)19(32-20)15-18(33-35(13,14)26(7,8)9)16-31-34(11,12)25(4,5)6/h18-22,27H,15-17H2,1-14H3/t18-,19+,20-,21-,22-/m0/s1
InChIKeyCQKUEULLEDWMAP-WIYBCGNWSA-N
MW534.88 g/mol
LogP5.52
Rot. Bonds10

About [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 59916207) has the molecular formula C26H54O7Si2 and a molecular weight of 534.88 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID59916207
Molecular FormulaC26H54O7Si2
Molecular Weight534.88 g/mol
Exact Mass534.34
IUPAC Name[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCO[C@@H]1[C@@H](O)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O7Si2/c1-24(2,3)23(28)30-17-20-21(27)22(29-10)19(32-20)15-18(33-35(13,14)26(7,8)9)16-31-34(11,12)25(4,5)6/h18-22,27H,15-17H2,1-14H3/t18-,19+,20-,21-,22-/m0/s1
InChIKeyCQKUEULLEDWMAP-WIYBCGNWSA-N
XLogP5.52
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.88
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

[(2S,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102377694
2-[(2S,3S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-hydroxy-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 59916226
2-[(2S,4R,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-hydroxy-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 59916230
[(2S,3S,4S,5S,6S,7S)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,6,7-tetrahydroxyoctyl] acetate
CID 14737951
[(2S,3S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(2-hydroxyethyl)-6-(hydroxymethyl)oxan-3-yl] acetate
CID 101748631
[(2S,3R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102377681
[(2S,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102377696
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5R)-5-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
CID 134830595
ethyl 8-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-2-hydroxy-1-(1-methylcyclopropyl)oxyethyl]oxolan-2-yl]octanoate
CID 138978688
2-[5-[3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-3-hydroxy-4-methoxyoxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 22889250
[(6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynonan-2-yl] 2,2-dimethylpropanoate
CID 11100826
(2R,4S,5S,6S,8R)-2,8-Dimethyl-4,6-dimethoxy-5-t-butyldimethylsilyloxy-9-pivaloyloxynonanol
CID 11826692

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 59916207) is [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is CO[C@@H]1[C@@H](O)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is CQKUEULLEDWMAP-WIYBCGNWSA-N. The full InChI is InChI=1S/C26H54O7Si2/c1-24(2,3)23(28)30-17-20-21(27)22(29-10)19(32-20)15-18(33-35(13,14)26(7,8)9)16-31-34(11,12)25(4,5)6/h18-22,27H,15-17H2,1-14H3/t18-,19+,20-,21-,22-/m0/s1.
What are the key properties of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 534.88 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-hydroxy-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59916207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).