4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol

C21H29N3O3Si — CID 173495625

IUPAC4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol
SMILESCC(O)C(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C21H29N3O3Si/c1-16(25)20(26)19(23-24-22)15-27-28(21(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,25-26H,15H2,1-4H3
InChIKeyOPSIVMJFDKJBOU-UHFFFAOYSA-N
MW399.57 g/mol
LogP2.98
Rot. Bonds8

About 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol

4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol (PubChem CID 173495625) has the molecular formula C21H29N3O3Si and a molecular weight of 399.57 g/mol. Its IUPAC name is 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol.

Molecular Properties

Compound Name4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol
PubChem CID173495625
Molecular FormulaC21H29N3O3Si
Molecular Weight399.57 g/mol
Exact Mass399.20
IUPAC Name4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol
SMILESCC(O)C(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C21H29N3O3Si/c1-16(25)20(26)19(23-24-22)15-27-28(21(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,25-26H,15H2,1-4H3
InChIKeyOPSIVMJFDKJBOU-UHFFFAOYSA-N
XLogP2.98
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
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 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol?
The IUPAC name of 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol (CID 173495625) is 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol.
What is the SMILES notation for 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol?
The canonical SMILES for 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol is CC(O)C(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol?
The InChIKey is OPSIVMJFDKJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3Si/c1-16(25)20(26)19(23-24-22)15-27-28(21(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,25-26H,15H2,1-4H3.
What are the key properties of 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol?
4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol has a molecular weight of 399.57 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-5-[tert-butyl(diphenyl)silyl]oxypentane-2,3-diol is sourced from PubChem (CID 173495625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).