[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate

C30H60O7Si — CID 162419089

IUPAC[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate
SMILESCO[C@@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC)OC(=O)[C@H]1CCCO1)[C@H](C)CO
InChIInChI=1S/C30H60O7Si/c1-20(2)26(37-38(11,12)30(6,7)8)18-27(33-9)21(3)15-16-24(23(5)28(34-10)22(4)19-31)36-29(32)25-14-13-17-35-25/h20-28,31H,13-19H2,1-12H3/t21-,22+,23-,24+,25+,26-,27-,28+/m0/s1
InChIKeyOYNIYYMONUNIQI-PJHAEWMWSA-N
MW560.89 g/mol
LogP6.22
Rot. Bonds17

About [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate

[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate (PubChem CID 162419089) has the molecular formula C30H60O7Si and a molecular weight of 560.89 g/mol. Its IUPAC name is [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate
PubChem CID162419089
Molecular FormulaC30H60O7Si
Molecular Weight560.89 g/mol
Exact Mass560.41
IUPAC Name[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate
SMILESCO[C@@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC)OC(=O)[C@H]1CCCO1)[C@H](C)CO
InChIInChI=1S/C30H60O7Si/c1-20(2)26(37-38(11,12)30(6,7)8)18-27(33-9)21(3)15-16-24(23(5)28(34-10)22(4)19-31)36-29(32)25-14-13-17-35-25/h20-28,31H,13-19H2,1-12H3/t21-,22+,23-,24+,25+,26-,27-,28+/m0/s1
InChIKeyOYNIYYMONUNIQI-PJHAEWMWSA-N
XLogP6.22
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.89
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate with MolForge

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Related Compounds

methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127422
ethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127493
ethyl (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127504
[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916222
[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916227
ethyl (2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 89112168
[(2R,3R,4S,5S,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619146
[(2R,3R,4S,5R,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619158
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 155619160
(3S)-3-[(3S)-5-[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-triethylsilyloxyoxolan-2-yl]butanoic acid
CID 173783751
(4S)-5-[(3S,6R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-1-triethylsilyloxyheptyl]-4-methyloxolan-2-one
CID 173783967

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate?
The IUPAC name of [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate (CID 162419089) is [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate.
What is the SMILES notation for [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate?
The canonical SMILES for [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate is CO[C@@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C)OC)OC(=O)[C@H]1CCCO1)[C@H](C)CO.
What is the InChIKey of [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate?
The InChIKey is OYNIYYMONUNIQI-PJHAEWMWSA-N. The full InChI is InChI=1S/C30H60O7Si/c1-20(2)26(37-38(11,12)30(6,7)8)18-27(33-9)21(3)15-16-24(23(5)28(34-10)22(4)19-31)36-29(32)25-14-13-17-35-25/h20-28,31H,13-19H2,1-12H3/t21-,22+,23-,24+,25+,26-,27-,28+/m0/s1.
What are the key properties of [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate?
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate has a molecular weight of 560.89 g/mol, XLogP of 6.22, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 162419089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).