[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C22H29N3O3Si — CID 15217048

IUPAC[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOC1C[C@H](N=[N+]=[N-])[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H29N3O3Si/c1-22(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)27-16-20-19(24-25-23)15-21(26-4)28-20/h5-14,19-21H,15-16H2,1-4H3/t19-,20+,21?/m0/s1
InChIKeyJWMZIFXSIPPIPE-MCOCGALXSA-N
MW411.58 g/mol
LogP4.00
Rot. Bonds7

About [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 15217048) has the molecular formula C22H29N3O3Si and a molecular weight of 411.58 g/mol. Its IUPAC name is [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID15217048
Molecular FormulaC22H29N3O3Si
Molecular Weight411.58 g/mol
Exact Mass411.20
IUPAC Name[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOC1C[C@H](N=[N+]=[N-])[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C22H29N3O3Si/c1-22(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)27-16-20-19(24-25-23)15-21(26-4)28-20/h5-14,19-21H,15-16H2,1-4H3/t19-,20+,21?/m0/s1
InChIKeyJWMZIFXSIPPIPE-MCOCGALXSA-N
XLogP4.00
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 15217048) is [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane is COC1C[C@H](N=[N+]=[N-])[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is JWMZIFXSIPPIPE-MCOCGALXSA-N. The full InChI is InChI=1S/C22H29N3O3Si/c1-22(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)27-16-20-19(24-25-23)15-21(26-4)28-20/h5-14,19-21H,15-16H2,1-4H3/t19-,20+,21?/m0/s1.
What are the key properties of [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 411.58 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-azido-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 15217048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).