methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate

C24H31N3O5Si — CID 25140968

IUPACmethyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1OC
InChIInChI=1S/C24H31N3O5Si/c1-24(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(26-27-25)21(29-4)22(32-19)23(28)30-5/h6-15,19-22H,16H2,1-5H3/t19-,20-,21-,22-/m1/s1
InChIKeyPLUQFIIJBSKYIJ-GXRSIYKFSA-N
MW469.61 g/mol
LogP3.20
Rot. Bonds8

About methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate

methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate (PubChem CID 25140968) has the molecular formula C24H31N3O5Si and a molecular weight of 469.61 g/mol. Its IUPAC name is methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate
PubChem CID25140968
Molecular FormulaC24H31N3O5Si
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Namemethyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1OC
InChIInChI=1S/C24H31N3O5Si/c1-24(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(26-27-25)21(29-4)22(32-19)23(28)30-5/h6-15,19-22H,16H2,1-5H3/t19-,20-,21-,22-/m1/s1
InChIKeyPLUQFIIJBSKYIJ-GXRSIYKFSA-N
XLogP3.20
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
The IUPAC name of methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate (CID 25140968) is methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate is COC(=O)[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1OC.
What is the InChIKey of methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
The InChIKey is PLUQFIIJBSKYIJ-GXRSIYKFSA-N. The full InChI is InChI=1S/C24H31N3O5Si/c1-24(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(26-27-25)21(29-4)22(32-19)23(28)30-5/h6-15,19-22H,16H2,1-5H3/t19-,20-,21-,22-/m1/s1.
What are the key properties of methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate has a molecular weight of 469.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 25140968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).