ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate

C26H54O9Si2 — CID 10793095

IUPACethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate
SMILESCCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@H](OCOC)[C@H]1C
InChIInChI=1S/C26H54O9Si2/c1-15-30-23(27)21(34-36(11,12)25(3,4)5)20-18(2)19(31-16-28-9)22(32-17-29-10)24(33-20)35-37(13,14)26(6,7)8/h18-22,24H,15-17H2,1-14H3/t18-,19-,20-,21+,22+,24-/m1/s1
InChIKeyIQWRQBZLAQPITI-PVNAXAEOSA-N
MW566.88 g/mol
LogP5.30
Rot. Bonds13

About ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate

ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate (PubChem CID 10793095) has the molecular formula C26H54O9Si2 and a molecular weight of 566.88 g/mol. Its IUPAC name is ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate
PubChem CID10793095
Molecular FormulaC26H54O9Si2
Molecular Weight566.88 g/mol
Exact Mass566.33
IUPAC Nameethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate
SMILESCCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@H](OCOC)[C@H]1C
InChIInChI=1S/C26H54O9Si2/c1-15-30-23(27)21(34-36(11,12)25(3,4)5)20-18(2)19(31-16-28-9)22(32-17-29-10)24(33-20)35-37(13,14)26(6,7)8/h18-22,24H,15-17H2,1-14H3/t18-,19-,20-,21+,22+,24-/m1/s1
InChIKeyIQWRQBZLAQPITI-PVNAXAEOSA-N
XLogP5.30
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.88
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate?
The IUPAC name of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate (CID 10793095) is ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate.
What is the SMILES notation for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate?
The canonical SMILES for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate is CCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@H](OCOC)[C@H]1C.
What is the InChIKey of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate?
The InChIKey is IQWRQBZLAQPITI-PVNAXAEOSA-N. The full InChI is InChI=1S/C26H54O9Si2/c1-15-30-23(27)21(34-36(11,12)25(3,4)5)20-18(2)19(31-16-28-9)22(32-17-29-10)24(33-20)35-37(13,14)26(6,7)8/h18-22,24H,15-17H2,1-14H3/t18-,19-,20-,21+,22+,24-/m1/s1.
What are the key properties of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate?
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate has a molecular weight of 566.88 g/mol, XLogP of 5.30, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3R,4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-bis(methoxymethoxy)-3-methyloxan-2-yl]acetate is sourced from PubChem (CID 10793095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).