[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane

C27H39N3O3Si — CID 11363665

IUPAC[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane
SMILESCC[C@H](COC1CCCCO1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C27H39N3O3Si/c1-5-22(20-32-26-18-12-13-19-31-26)25(29-30-28)21-33-34(27(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,22,25-26H,5,12-13,18-21H2,1-4H3/t22-,25-,26?/m1/s1
InChIKeyXQSLGNMIPMQFKW-NQXVELOOSA-N
MW481.71 g/mol
LogP5.81
Rot. Bonds11

About [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane

[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane (PubChem CID 11363665) has the molecular formula C27H39N3O3Si and a molecular weight of 481.71 g/mol. Its IUPAC name is [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane
PubChem CID11363665
Molecular FormulaC27H39N3O3Si
Molecular Weight481.71 g/mol
Exact Mass481.28
IUPAC Name[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane
SMILESCC[C@H](COC1CCCCO1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C27H39N3O3Si/c1-5-22(20-32-26-18-12-13-19-31-26)25(29-30-28)21-33-34(27(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,22,25-26H,5,12-13,18-21H2,1-4H3/t22-,25-,26?/m1/s1
InChIKeyXQSLGNMIPMQFKW-NQXVELOOSA-N
XLogP5.81
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.71
LogP ≤ 55.81
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
CID 11656197
[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 134845852
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611
[(3S,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 71072338
tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 10598542
[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
CID 11213860
[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15217048
[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 101371344

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane (CID 11363665) is [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane is CC[C@H](COC1CCCCO1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane?
The InChIKey is XQSLGNMIPMQFKW-NQXVELOOSA-N. The full InChI is InChI=1S/C27H39N3O3Si/c1-5-22(20-32-26-18-12-13-19-31-26)25(29-30-28)21-33-34(27(2,3)4,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,22,25-26H,5,12-13,18-21H2,1-4H3/t22-,25-,26?/m1/s1.
What are the key properties of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane?
[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane has a molecular weight of 481.71 g/mol, XLogP of 5.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11363665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).