methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate

C15H30O6Si — CID 139038790

IUPACmethyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@](C)([C@@H](O)CO[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C15H30O6Si/c1-14(2,3)22(6,7)20-9-11(17)15(4)8-10(16)12(21-15)13(18)19-5/h10-12,16-17H,8-9H2,1-7H3/t10-,11+,12+,15-/m1/s1
InChIKeyFUOWZNGLWJYMHX-OXJKWZBOSA-N
MW334.49 g/mol
LogP1.45
Rot. Bonds5

About methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate

methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate (PubChem CID 139038790) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
PubChem CID139038790
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Namemethyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@@](C)([C@@H](O)CO[Si](C)(C)C(C)(C)C)C[C@H]1O
InChIInChI=1S/C15H30O6Si/c1-14(2,3)22(6,7)20-9-11(17)15(4)8-10(16)12(21-15)13(18)19-5/h10-12,16-17H,8-9H2,1-7H3/t10-,11+,12+,15-/m1/s1
InChIKeyFUOWZNGLWJYMHX-OXJKWZBOSA-N
XLogP1.45
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 24873843
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
ethyl (2R)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 135013071
dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
CID 135020847
dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932020
(2S,3R,4R,5S)-5-(carboxymethyl)-4-hydroxy-2,3,5-trimethyloxolane-2-carboxylic acid
CID 10585644
(5R)-5-methyl-5-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]oxolane-2,3-dione
CID 22887272
(5S)-3,4-dihydroxy-3,4,5-trimethyl-5-(1,2,3-trihydroxypropyl)oxolan-2-one
CID 53923654
[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate
CID 54507087

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate?
The IUPAC name of methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate (CID 139038790) is methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate is COC(=O)[C@H]1O[C@@](C)([C@@H](O)CO[Si](C)(C)C(C)(C)C)C[C@H]1O.
What is the InChIKey of methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate?
The InChIKey is FUOWZNGLWJYMHX-OXJKWZBOSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-14(2,3)22(6,7)20-9-11(17)15(4)8-10(16)12(21-15)13(18)19-5/h10-12,16-17H,8-9H2,1-7H3/t10-,11+,12+,15-/m1/s1.
What are the key properties of methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate?
methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate has a molecular weight of 334.49 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate is sourced from PubChem (CID 139038790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).