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

C20H25N3O3Si — CID 10738751

IUPAC(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
SMILESCC(C)(C)[Si](O[C@@H]1C(O)OC[C@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O3Si/c1-20(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-18-17(22-23-21)14-25-19(18)24/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19?/m1/s1
InChIKeyAJDIZTDYCOJCRS-YTYFACEESA-N
MW383.52 g/mol
LogP2.96
Rot. Bonds5

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

(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol (PubChem CID 10738751) has the molecular formula C20H25N3O3Si and a molecular weight of 383.52 g/mol. Its IUPAC name is (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol.

Molecular Properties

Compound Name(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
PubChem CID10738751
Molecular FormulaC20H25N3O3Si
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
SMILESCC(C)(C)[Si](O[C@@H]1C(O)OC[C@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O3Si/c1-20(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-18-17(22-23-21)14-25-19(18)24/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19?/m1/s1
InChIKeyAJDIZTDYCOJCRS-YTYFACEESA-N
XLogP2.96
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.96
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

tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(6S,8R,8aS)-7-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 91440035
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-[[(4R)-3-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy]-diphenylsilane
CID 159902587
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
(3R,4S,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-(2-trimethylsilylethoxy)oxane-3,4-diol
CID 10529042
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
The IUPAC name of (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol (CID 10738751) is (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol.
What is the SMILES notation for (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
The canonical SMILES for (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol is CC(C)(C)[Si](O[C@@H]1C(O)OC[C@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
The InChIKey is AJDIZTDYCOJCRS-YTYFACEESA-N. The full InChI is InChI=1S/C20H25N3O3Si/c1-20(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-18-17(22-23-21)14-25-19(18)24/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19?/m1/s1.
What are the key properties of (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol has a molecular weight of 383.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol is sourced from PubChem (CID 10738751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).