N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide

C36H59NO6Si3 — CID 101353452

IUPACN-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H59NO6Si3/c1-26(38)37-30-32(43-45(13,14)35(5,6)7)31(42-44(11,12)34(2,3)4)29(41-33(30)39)25-40-46(36(8,9)10,27-21-17-15-18-22-27)28-23-19-16-20-24-28/h15-24,29-32H,25H2,1-14H3,(H,37,38)/t29-,30-,31+,32-/m1/s1
InChIKeyIYUIWKNVPJOACU-FEFKUCBWSA-N
MW686.13 g/mol
LogP6.77
Rot. Bonds10

About N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide

N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide (PubChem CID 101353452) has the molecular formula C36H59NO6Si3 and a molecular weight of 686.13 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide
PubChem CID101353452
Molecular FormulaC36H59NO6Si3
Molecular Weight686.13 g/mol
Exact Mass685.37
IUPAC NameN-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H59NO6Si3/c1-26(38)37-30-32(43-45(13,14)35(5,6)7)31(42-44(11,12)34(2,3)4)29(41-33(30)39)25-40-46(36(8,9)10,27-21-17-15-18-22-27)28-23-19-16-20-24-28/h15-24,29-32H,25H2,1-14H3,(H,37,38)/t29-,30-,31+,32-/m1/s1
InChIKeyIYUIWKNVPJOACU-FEFKUCBWSA-N
XLogP6.77
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.13
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide (CID 101353452) is N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide is CC(=O)N[C@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[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 N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide?
The InChIKey is IYUIWKNVPJOACU-FEFKUCBWSA-N. The full InChI is InChI=1S/C36H59NO6Si3/c1-26(38)37-30-32(43-45(13,14)35(5,6)7)31(42-44(11,12)34(2,3)4)29(41-33(30)39)25-40-46(36(8,9)10,27-21-17-15-18-22-27)28-23-19-16-20-24-28/h15-24,29-32H,25H2,1-14H3,(H,37,38)/t29-,30-,31+,32-/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide?
N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide has a molecular weight of 686.13 g/mol, XLogP of 6.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxooxan-3-yl]acetamide is sourced from PubChem (CID 101353452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).