[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane

C24H33N3O2Si — CID 58247469

IUPAC[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC[C@H](C)[C@H]1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C24H33N3O2Si/c1-6-18(2)23-22(26-27-25)21(17-28-23)29-30(24(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,6,17H2,1-5H3/t18-,21-,22+,23+/m0/s1
InChIKeyZKFVARSRZNPYEL-XSEFMFLKSA-N
MW423.63 g/mol
LogP5.06
Rot. Bonds7

About [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane

[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 58247469) has the molecular formula C24H33N3O2Si and a molecular weight of 423.63 g/mol. Its IUPAC name is [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane
PubChem CID58247469
Molecular FormulaC24H33N3O2Si
Molecular Weight423.63 g/mol
Exact Mass423.23
IUPAC Name[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC[C@H](C)[C@H]1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C24H33N3O2Si/c1-6-18(2)23-22(26-27-25)21(17-28-23)29-30(24(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,6,17H2,1-5H3/t18-,21-,22+,23+/m0/s1
InChIKeyZKFVARSRZNPYEL-XSEFMFLKSA-N
XLogP5.06
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane (CID 58247469) is [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane is CC[C@H](C)[C@H]1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-].
What is the InChIKey of [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is ZKFVARSRZNPYEL-XSEFMFLKSA-N. The full InChI is InChI=1S/C24H33N3O2Si/c1-6-18(2)23-22(26-27-25)21(17-28-23)29-30(24(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,6,17H2,1-5H3/t18-,21-,22+,23+/m0/s1.
What are the key properties of [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane?
[(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 423.63 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 58247469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).