[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate

C26H33N3O6Si — CID 146031834

IUPAC[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C26H33N3O6Si/c1-18(30)32-17-23(34-19(2)31)25-24(28-29-27)22(16-33-25)35-36(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23+,24+,25+/m0/s1
InChIKeyHFAXCOKLEHIDKT-ZYQDXHPFSA-N
MW511.65 g/mol
LogP3.50
Rot. Bonds9

About [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate (PubChem CID 146031834) has the molecular formula C26H33N3O6Si and a molecular weight of 511.65 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
PubChem CID146031834
Molecular FormulaC26H33N3O6Si
Molecular Weight511.65 g/mol
Exact Mass511.21
IUPAC Name[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C26H33N3O6Si/c1-18(30)32-17-23(34-19(2)31)25-24(28-29-27)22(16-33-25)35-36(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23+,24+,25+/m0/s1
InChIKeyHFAXCOKLEHIDKT-ZYQDXHPFSA-N
XLogP3.50
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate (CID 146031834) is [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@H]1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-].
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate?
The InChIKey is HFAXCOKLEHIDKT-ZYQDXHPFSA-N. The full InChI is InChI=1S/C26H33N3O6Si/c1-18(30)32-17-23(34-19(2)31)25-24(28-29-27)22(16-33-25)35-36(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23+,24+,25+/m0/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate has a molecular weight of 511.65 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 146031834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).