[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane

C25H33N3O4Si — CID 122398056

IUPAC[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane
SMILESC[C@H](N=[N+]=[N-])[C@@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C25H33N3O4Si/c1-17(27-28-26)20-21-22(31-25(5,6)30-21)23(29-20)32-33(24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20-23H,1-6H3/t17-,20-,21+,22+,23-/m0/s1
InChIKeyGSKGALGNIPQFQK-GIFBIUIXSA-N
MW467.64 g/mol
LogP4.51
Rot. Bonds6

About [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane

[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 122398056) has the molecular formula C25H33N3O4Si and a molecular weight of 467.64 g/mol. Its IUPAC name is [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane
PubChem CID122398056
Molecular FormulaC25H33N3O4Si
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane
SMILESC[C@H](N=[N+]=[N-])[C@@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C25H33N3O4Si/c1-17(27-28-26)20-21-22(31-25(5,6)30-21)23(29-20)32-33(24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20-23H,1-6H3/t17-,20-,21+,22+,23-/m0/s1
InChIKeyGSKGALGNIPQFQK-GIFBIUIXSA-N
XLogP4.51
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.51
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'}

Analyze [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

[(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
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 14018436
[(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
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
[(3R,4R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 57712837
[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 58678939
[(2R,3S,5S)-4-azido-2-[tert-butyl(diphenyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 59624115
(2R,3S,5S)-4-azido-2-[tert-butyl(diphenyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 59624121

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane (CID 122398056) is [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane is C[C@H](N=[N+]=[N-])[C@@H]1O[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is GSKGALGNIPQFQK-GIFBIUIXSA-N. The full InChI is InChI=1S/C25H33N3O4Si/c1-17(27-28-26)20-21-22(31-25(5,6)30-21)23(29-20)32-33(24(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17,20-23H,1-6H3/t17-,20-,21+,22+,23-/m0/s1.
What are the key properties of [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane?
[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 467.64 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 122398056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).