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

C22H29N3O3Si — CID 86750351

IUPAC(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CN=[N+]=[N-])C[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O3Si/c1-22(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-21-20(26)14-17(28-21)15-24-25-23/h4-13,17,20-21,26H,14-16H2,1-3H3/t17-,20+,21+/m0/s1
InChIKeyXPXMCUXHJIDMAJ-IOMROCGXSA-N
MW411.58 g/mol
LogP3.39
Rot. Bonds7

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

(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 86750351) has the molecular formula C22H29N3O3Si and a molecular weight of 411.58 g/mol. Its IUPAC name is (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
PubChem CID86750351
Molecular FormulaC22H29N3O3Si
Molecular Weight411.58 g/mol
Exact Mass411.20
IUPAC Name(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CN=[N+]=[N-])C[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O3Si/c1-22(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-21-20(26)14-17(28-21)15-24-25-23/h4-13,17,20-21,26H,14-16H2,1-3H3/t17-,20+,21+/m0/s1
InChIKeyXPXMCUXHJIDMAJ-IOMROCGXSA-N
XLogP3.39
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
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

(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol
CID 68199571
[(2R,5S)-3-(1-azido-2-fluoroethoxy)-5-methyloxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 173616878
1-amino-3-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
CID 57386214
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
CID 71514366
[(2R,3R,4R,5S)-4-azido-3-fluoro-5-[fluoro(methoxy)methyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 21586039
(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol
CID 10673361
(2R,3S)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
CID 11795235
(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
(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolan-3-ol
CID 58521398
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
CID 60047861

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (CID 86750351) is (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is CC(C)(C)[Si](OC[C@H]1O[C@H](CN=[N+]=[N-])C[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The InChIKey is XPXMCUXHJIDMAJ-IOMROCGXSA-N. The full InChI is InChI=1S/C22H29N3O3Si/c1-22(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)27-16-21-20(26)14-17(28-21)15-24-25-23/h4-13,17,20-21,26H,14-16H2,1-3H3/t17-,20+,21+/m0/s1.
What are the key properties of (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol has a molecular weight of 411.58 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 86750351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).