(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

C21H25N3O3Si — CID 11954841

IUPAC(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](N=[N+]=[N-])C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-15-16-14-19(23-24-22)20(25)27-16/h4-13,16,19H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKeyFDQWEIQUWJKIGO-APWZRJJASA-N
MW395.54 g/mol
LogP3.56
Rot. Bonds6

About (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 11954841) has the molecular formula C21H25N3O3Si and a molecular weight of 395.54 g/mol. Its IUPAC name is (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID11954841
Molecular FormulaC21H25N3O3Si
Molecular Weight395.54 g/mol
Exact Mass395.17
IUPAC Name(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](N=[N+]=[N-])C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-15-16-14-19(23-24-22)20(25)27-16/h4-13,16,19H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKeyFDQWEIQUWJKIGO-APWZRJJASA-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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Related Compounds

(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one
CID 10928421
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(2S,3aR,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 23631220
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
CID 140846362
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
CID 23255904
1-[(3S,5S)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101196334

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 11954841) is (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](OC[C@H]1C[C@H](N=[N+]=[N-])C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is FDQWEIQUWJKIGO-APWZRJJASA-N. The full InChI is InChI=1S/C21H25N3O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-15-16-14-19(23-24-22)20(25)27-16/h4-13,16,19H,14-15H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
(3S,5R)-3-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 (3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 11954841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).