[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate

C25H33N3O5Si — CID 11213860

IUPAC[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
SMILESCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](N=[N+]=[N-])[C@H]1OC(C)=O
InChIInChI=1S/C25H33N3O5Si/c1-18(29)32-23-22(27-28-26)16-19(33-24(23)30-5)17-31-34(25(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22-24H,16-17H2,1-5H3/t19-,22-,23+,24+/m0/s1
InChIKeyYDYQZKWAYXYJNJ-ZMUKGBGYSA-N
MW483.64 g/mol
LogP3.93
Rot. Bonds8

About [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate

[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate (PubChem CID 11213860) has the molecular formula C25H33N3O5Si and a molecular weight of 483.64 g/mol. Its IUPAC name is [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
PubChem CID11213860
Molecular FormulaC25H33N3O5Si
Molecular Weight483.64 g/mol
Exact Mass483.22
IUPAC Name[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
SMILESCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](N=[N+]=[N-])[C@H]1OC(C)=O
InChIInChI=1S/C25H33N3O5Si/c1-18(29)32-23-22(27-28-26)16-19(33-24(23)30-5)17-31-34(25(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22-24H,16-17H2,1-5H3/t19-,22-,23+,24+/m0/s1
InChIKeyYDYQZKWAYXYJNJ-ZMUKGBGYSA-N
XLogP3.93
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.93
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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Related Compounds

(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
CID 139255092
[(2R,3S,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
[(2S,3S,6S)-3,4,5-triacetyloxy-6-[(3S,6R)-4-acetyloxy-2-(acetyloxymethyl)-5-azido-6-phenylselanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 134837586
Whlhcdsluaaptj-acfiuoazsa-
CID 50937055
[(3S,4S,5S)-4-acetyloxy-5-azido-3-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]methyl acetate
CID 72701396
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
[(3R,4R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 57712837
[(2R,3S,5S)-4-azido-2-[tert-butyl(diphenyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 59624115
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
CID 59765608
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate (CID 11213860) is [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate is CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](N=[N+]=[N-])[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
The InChIKey is YDYQZKWAYXYJNJ-ZMUKGBGYSA-N. The full InChI is InChI=1S/C25H33N3O5Si/c1-18(29)32-23-22(27-28-26)16-19(33-24(23)30-5)17-31-34(25(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22-24H,16-17H2,1-5H3/t19-,22-,23+,24+/m0/s1.
What are the key properties of [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
[(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate has a molecular weight of 483.64 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,6S)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate is sourced from PubChem (CID 11213860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).