[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane

C28H31N3O3Si — CID 11409136

IUPAC[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H]1C=C[C@H](N=[N+]=[N-])O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O3Si/c1-35(2,3)34-25-19-20-27(30-31-29)33-26(25)21-32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,25-27H,21H2,1-3H3/t25-,26-,27-/m1/s1
InChIKeyFLZOJBASKIUSSG-ZONZVBGPSA-N
MW485.66 g/mol
LogP6.81
Rot. Bonds9

About [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane

[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane (PubChem CID 11409136) has the molecular formula C28H31N3O3Si and a molecular weight of 485.66 g/mol. Its IUPAC name is [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane
PubChem CID11409136
Molecular FormulaC28H31N3O3Si
Molecular Weight485.66 g/mol
Exact Mass485.21
IUPAC Name[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[C@@H]1C=C[C@H](N=[N+]=[N-])O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O3Si/c1-35(2,3)34-25-19-20-27(30-31-29)33-26(25)21-32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,25-27H,21H2,1-3H3/t25-,26-,27-/m1/s1
InChIKeyFLZOJBASKIUSSG-ZONZVBGPSA-N
XLogP6.81
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.66
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-azido-5-methoxy-2-(trityloxymethyl)oxolane
CID 23251731
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
[5-azido-3-benzoyloxy-2-methoxy-6-(trityloxymethyl)oxan-4-yl] benzoate
CID 4294802
(1R,9R,10R,12R)-12-azido-4-methyl-10-(trityloxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
CID 23240509
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 14464068
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2S,3S,4S,5R,6R)-5-fluoro-6-(trityloxymethyl)oxane-2,3,4-triol
CID 171123594
[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-6-(2-azidoethoxy)-2-(trityloxymethyl)oxan-3-yl] acetate
CID 90023115

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane (CID 11409136) is [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane is C[Si](C)(C)O[C@@H]1C=C[C@H](N=[N+]=[N-])O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane?
The InChIKey is FLZOJBASKIUSSG-ZONZVBGPSA-N. The full InChI is InChI=1S/C28H31N3O3Si/c1-35(2,3)34-25-19-20-27(30-31-29)33-26(25)21-32-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-20,25-27H,21H2,1-3H3/t25-,26-,27-/m1/s1.
What are the key properties of [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane?
[(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane has a molecular weight of 485.66 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-6-azido-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 11409136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).