(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol

C21H29N3O3Si — CID 11795236

IUPAC(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
SMILESCC(C)(C)[Si](O[C@H](CCN=[N+]=[N-])[C@H](O)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20(19(26)16-25)14-15-23-24-22/h4-13,19-20,25-26H,14-16H2,1-3H3/t19-,20-/m1/s1
InChIKeyZQAYZEKVZBGFJT-WOJBJXKFSA-N
MW399.57 g/mol
LogP2.99
Rot. Bonds9

About (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol

(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol (PubChem CID 11795236) has the molecular formula C21H29N3O3Si and a molecular weight of 399.57 g/mol. Its IUPAC name is (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
PubChem CID11795236
Molecular FormulaC21H29N3O3Si
Molecular Weight399.57 g/mol
Exact Mass399.20
IUPAC Name(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
SMILESCC(C)(C)[Si](O[C@H](CCN=[N+]=[N-])[C@H](O)CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20(19(26)16-25)14-15-23-24-22/h4-13,19-20,25-26H,14-16H2,1-3H3/t19-,20-/m1/s1
InChIKeyZQAYZEKVZBGFJT-WOJBJXKFSA-N
XLogP2.99
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 52.99
H-Bond Donors ≤ 52
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

(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol
CID 57408223
11-azidoundecoxy-tert-butyl-diphenylsilane
CID 138986552
9-azidononoxy-tert-butyl-diphenylsilane
CID 155804238
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol?
The IUPAC name of (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol (CID 11795236) is (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol.
What is the SMILES notation for (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol?
The canonical SMILES for (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol is CC(C)(C)[Si](O[C@H](CCN=[N+]=[N-])[C@H](O)CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol?
The InChIKey is ZQAYZEKVZBGFJT-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H29N3O3Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20(19(26)16-25)14-15-23-24-22/h4-13,19-20,25-26H,14-16H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol?
(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol has a molecular weight of 399.57 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol is sourced from PubChem (CID 11795236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).