methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate

C19H36O6Si — CID 24879906

IUPACmethyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@]1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C(C)C=O)O1
InChIInChI=1S/C19H36O6Si/c1-13(12-20)17-14(2)15(25-26(8,9)18(3,4)5)10-19(23-7,24-17)11-16(21)22-6/h12-15,17H,10-11H2,1-9H3/t13?,14-,15+,17+,19+/m1/s1
InChIKeyWCUIOQGGEOSFKD-LQRLCEIKSA-N
MW388.58 g/mol
LogP3.54
Rot. Bonds7

About methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate

methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate (PubChem CID 24879906) has the molecular formula C19H36O6Si and a molecular weight of 388.58 g/mol. Its IUPAC name is methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
PubChem CID24879906
Molecular FormulaC19H36O6Si
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Namemethyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
SMILESCOC(=O)C[C@]1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C(C)C=O)O1
InChIInChI=1S/C19H36O6Si/c1-13(12-20)17-14(2)15(25-26(8,9)18(3,4)5)10-19(23-7,24-17)11-16(21)22-6/h12-15,17H,10-11H2,1-9H3/t13?,14-,15+,17+,19+/m1/s1
InChIKeyWCUIOQGGEOSFKD-LQRLCEIKSA-N
XLogP3.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate (CID 24879906) is methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate is COC(=O)C[C@]1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C(C)C=O)O1.
What is the InChIKey of methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate?
The InChIKey is WCUIOQGGEOSFKD-LQRLCEIKSA-N. The full InChI is InChI=1S/C19H36O6Si/c1-13(12-20)17-14(2)15(25-26(8,9)18(3,4)5)10-19(23-7,24-17)11-16(21)22-6/h12-15,17H,10-11H2,1-9H3/t13?,14-,15+,17+,19+/m1/s1.
What are the key properties of methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate?
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate has a molecular weight of 388.58 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate is sourced from PubChem (CID 24879906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).