(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

C21H25N3O3Si — CID 10092099

IUPAC(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-19H,14-15H2,1-3H3/t18-,19+/m0/s1
InChIKeyMATDIYWUTUPGDD-RBUKOAKNSA-N
MW395.54 g/mol
LogP3.56
Rot. Bonds6

About (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 10092099) has the molecular formula C21H25N3O3Si and a molecular weight of 395.54 g/mol. Its IUPAC name is (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID10092099
Molecular FormulaC21H25N3O3Si
Molecular Weight395.54 g/mol
Exact Mass395.17
IUPAC Name(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-19H,14-15H2,1-3H3/t18-,19+/m0/s1
InChIKeyMATDIYWUTUPGDD-RBUKOAKNSA-N
XLogP3.56
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.56
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 (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 10092099) is (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](OC[C@H]1OC(=O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is MATDIYWUTUPGDD-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H25N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-19H,14-15H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 395.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 10092099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).