[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C19H31N3O3SSi — CID 122371913

IUPAC[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1[C@H](N=[N+]=[N-])[C@H](Sc2ccc(C)cc2)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31N3O3SSi/c1-13-8-10-14(11-9-13)26-18-16(21-22-20)17(23-5)15(25-18)12-24-27(6,7)19(2,3)4/h8-11,15-18H,12H2,1-7H3/t15-,16-,17-,18-/m0/s1
InChIKeyOBWFPKBDRIZKSE-XSLAGTTESA-N
MW409.63 g/mol
LogP5.53
Rot. Bonds7

About [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 122371913) has the molecular formula C19H31N3O3SSi and a molecular weight of 409.63 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID122371913
Molecular FormulaC19H31N3O3SSi
Molecular Weight409.63 g/mol
Exact Mass409.19
IUPAC Name[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1[C@H](N=[N+]=[N-])[C@H](Sc2ccc(C)cc2)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31N3O3SSi/c1-13-8-10-14(11-9-13)26-18-16(21-22-20)17(23-5)15(25-18)12-24-27(6,7)19(2,3)4/h8-11,15-18H,12H2,1-7H3/t15-,16-,17-,18-/m0/s1
InChIKeyOBWFPKBDRIZKSE-XSLAGTTESA-N
XLogP5.53
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.63
LogP ≤ 55.53
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 [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane 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 [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 122371913) is [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CO[C@@H]1[C@H](N=[N+]=[N-])[C@H](Sc2ccc(C)cc2)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is OBWFPKBDRIZKSE-XSLAGTTESA-N. The full InChI is InChI=1S/C19H31N3O3SSi/c1-13-8-10-14(11-9-13)26-18-16(21-22-20)17(23-5)15(25-18)12-24-27(6,7)19(2,3)4/h8-11,15-18H,12H2,1-7H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 409.63 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 122371913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).