(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol

C23H31N3O4Si — CID 91517481

IUPAC(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
SMILESCO[C@@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C23H31N3O4Si/c1-23(2,3)31(17-11-7-5-8-12-17,18-13-9-6-10-14-18)30-16-20-22(28-4)21(27)19(15-29-20)25-26-24/h5-14,19-22,27H,15-16H2,1-4H3/t19?,20?,21-,22-/m1/s1
InChIKeyOTSOKSNNVLZGSM-LIKPIUCQSA-N
MW441.60 g/mol
LogP3.02
Rot. Bonds7

About (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol

(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol (PubChem CID 91517481) has the molecular formula C23H31N3O4Si and a molecular weight of 441.60 g/mol. Its IUPAC name is (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
PubChem CID91517481
Molecular FormulaC23H31N3O4Si
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
SMILESCO[C@@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C23H31N3O4Si/c1-23(2,3)31(17-11-7-5-8-12-17,18-13-9-6-10-14-18)30-16-20-22(28-4)21(27)19(15-29-20)25-26-24/h5-14,19-22,27H,15-16H2,1-4H3/t19?,20?,21-,22-/m1/s1
InChIKeyOTSOKSNNVLZGSM-LIKPIUCQSA-N
XLogP3.02
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
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 (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxyoctadecane-3,4-diol
CID 24806188
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
CID 71514366
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
Phenyl 2-azido-2-deoxy-1-seleno-alpha-d-mannopyranoside
CID 167993277
(2R,3S)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
CID 11795235
Phenyl 2-azido-2-deoxy-1-seleno-alpha-D-galactopyranoside
CID 10246874
(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol
CID 58400098
CID 58676527
CID 58676527
[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 58678939
(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
CID 58678948

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol?
The IUPAC name of (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol (CID 91517481) is (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol.
What is the SMILES notation for (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol?
The canonical SMILES for (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol is CO[C@@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(N=[N+]=[N-])[C@H]1O.
What is the InChIKey of (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol?
The InChIKey is OTSOKSNNVLZGSM-LIKPIUCQSA-N. The full InChI is InChI=1S/C23H31N3O4Si/c1-23(2,3)31(17-11-7-5-8-12-17,18-13-9-6-10-14-18)30-16-20-22(28-4)21(27)19(15-29-20)25-26-24/h5-14,19-22,27H,15-16H2,1-4H3/t19?,20?,21-,22-/m1/s1.
What are the key properties of (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol?
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol has a molecular weight of 441.60 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol is sourced from PubChem (CID 91517481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).