methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate

C26H56O7Si3 — CID 56958531

IUPACmethyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O7Si3/c1-24(2,3)34(12,13)31-19-18(20(22(27)28-10)32-35(14,15)25(4,5)6)30-23(29-11)21(19)33-36(16,17)26(7,8)9/h18-21,23H,1-17H3/t18-,19+,20+,21-,23-/m1/s1
InChIKeyQONWFPJLJXZRGA-DLBZZEGUSA-N
MW564.99 g/mol
LogP6.70
Rot. Bonds9

About methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate

methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate (PubChem CID 56958531) has the molecular formula C26H56O7Si3 and a molecular weight of 564.99 g/mol. Its IUPAC name is methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
PubChem CID56958531
Molecular FormulaC26H56O7Si3
Molecular Weight564.99 g/mol
Exact Mass564.33
IUPAC Namemethyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O7Si3/c1-24(2,3)34(12,13)31-19-18(20(22(27)28-10)32-35(14,15)25(4,5)6)30-23(29-11)21(19)33-36(16,17)26(7,8)9/h18-21,23H,1-17H3/t18-,19+,20+,21-,23-/m1/s1
InChIKeyQONWFPJLJXZRGA-DLBZZEGUSA-N
XLogP6.70
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.99
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
The IUPAC name of methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate (CID 56958531) is methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate.
What is the SMILES notation for methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
The canonical SMILES for methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate is COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
The InChIKey is QONWFPJLJXZRGA-DLBZZEGUSA-N. The full InChI is InChI=1S/C26H56O7Si3/c1-24(2,3)34(12,13)31-19-18(20(22(27)28-10)32-35(14,15)25(4,5)6)30-23(29-11)21(19)33-36(16,17)26(7,8)9/h18-21,23H,1-17H3/t18-,19+,20+,21-,23-/m1/s1.
What are the key properties of methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?
methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate has a molecular weight of 564.99 g/mol, XLogP of 6.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate is sourced from PubChem (CID 56958531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).