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

C23H29N3O4Si — CID 10071908

IUPAC[(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](N=[N+]=[N-])[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H29N3O4Si/c1-17(27)29-22-15-20(25-26-24)21(30-22)16-28-31(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-22H,15-16H2,1-4H3/t20-,21+,22?/m0/s1
InChIKeyQZIAQOAUHPXIAL-UGGDCYSXSA-N
MW439.59 g/mol
LogP3.92
Rot. Bonds7

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

[(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate (PubChem CID 10071908) has the molecular formula C23H29N3O4Si and a molecular weight of 439.59 g/mol. Its IUPAC name is [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
PubChem CID10071908
Molecular FormulaC23H29N3O4Si
Molecular Weight439.59 g/mol
Exact Mass439.19
IUPAC Name[(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](N=[N+]=[N-])[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H29N3O4Si/c1-17(27)29-22-15-20(25-26-24)21(30-22)16-28-31(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-22H,15-16H2,1-4H3/t20-,21+,22?/m0/s1
InChIKeyQZIAQOAUHPXIAL-UGGDCYSXSA-N
XLogP3.92
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 10788072
[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 12042799
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 59017204
[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 60010823
[(2S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 88567850
[(2S,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 90339258
[(2R,3S,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
CID 10620908
(5S)-5-({[tert-butyl(diphenyl)silyl]oxy}methyl)tetrahydro-2-furanyl acetate
CID 11025741
[(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
CID 101223114
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The IUPAC name of [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate (CID 10071908) is [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate.
What is the SMILES notation for [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The canonical SMILES for [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate is CC(=O)OC1C[C@H](N=[N+]=[N-])[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The InChIKey is QZIAQOAUHPXIAL-UGGDCYSXSA-N. The full InChI is InChI=1S/C23H29N3O4Si/c1-17(27)29-22-15-20(25-26-24)21(30-22)16-28-31(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-22H,15-16H2,1-4H3/t20-,21+,22?/m0/s1.
What are the key properties of [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate?
[(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate has a molecular weight of 439.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate is sourced from PubChem (CID 10071908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).