methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate

C21H40O7Si — CID 11362502

IUPACmethyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-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@H](C)[C@@H](C=O)OC)O1
InChIInChI=1S/C21H40O7Si/c1-14-16(28-29(9,10)20(3,4)5)11-21(26-8,12-18(23)25-7)27-19(14)15(2)17(13-22)24-6/h13-17,19H,11-12H2,1-10H3/t14-,15-,16+,17-,19-,21+/m1/s1
InChIKeyDWMSUYFPHDFUEF-QILZMWCDSA-N
MW432.63 g/mol
LogP3.56
Rot. Bonds9

About methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate

methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate (PubChem CID 11362502) has the molecular formula C21H40O7Si and a molecular weight of 432.63 g/mol. Its IUPAC name is methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
PubChem CID11362502
Molecular FormulaC21H40O7Si
Molecular Weight432.63 g/mol
Exact Mass432.25
IUPAC Namemethyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-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@H](C)[C@@H](C=O)OC)O1
InChIInChI=1S/C21H40O7Si/c1-14-16(28-29(9,10)20(3,4)5)11-21(26-8,12-18(23)25-7)27-19(14)15(2)17(13-22)24-6/h13-17,19H,11-12H2,1-10H3/t14-,15-,16+,17-,19-,21+/m1/s1
InChIKeyDWMSUYFPHDFUEF-QILZMWCDSA-N
XLogP3.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate (CID 11362502) is methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-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@H](C)[C@@H](C=O)OC)O1.
What is the InChIKey of methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate?
The InChIKey is DWMSUYFPHDFUEF-QILZMWCDSA-N. The full InChI is InChI=1S/C21H40O7Si/c1-14-16(28-29(9,10)20(3,4)5)11-21(26-8,12-18(23)25-7)27-19(14)15(2)17(13-22)24-6/h13-17,19H,11-12H2,1-10H3/t14-,15-,16+,17-,19-,21+/m1/s1.
What are the key properties of methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate?
methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate has a molecular weight of 432.63 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate is sourced from PubChem (CID 11362502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).