[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate

C26H33N3O6Si — CID 10697069

IUPAC[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])O1
InChIInChI=1S/C26H33N3O6Si/c1-18(30)33-23-16-24(34-19(2)31)35-25(23)22(28-29-27)17-32-36(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23+,24-,25-/m1/s1
InChIKeyFQQSCKJDPMNEBO-ZFFYZDHPSA-N
MW511.65 g/mol
LogP3.85
Rot. Bonds9

About [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate

[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate (PubChem CID 10697069) has the molecular formula C26H33N3O6Si and a molecular weight of 511.65 g/mol. Its IUPAC name is [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
PubChem CID10697069
Molecular FormulaC26H33N3O6Si
Molecular Weight511.65 g/mol
Exact Mass511.21
IUPAC Name[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])O1
InChIInChI=1S/C26H33N3O6Si/c1-18(30)33-23-16-24(34-19(2)31)35-25(23)22(28-29-27)17-32-36(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23+,24-,25-/m1/s1
InChIKeyFQQSCKJDPMNEBO-ZFFYZDHPSA-N
XLogP3.85
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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,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
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
Whlhcdsluaaptj-acfiuoazsa-
CID 50937055
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
[(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
[(3S,4S,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 70995860

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate (CID 10697069) is [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate is CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])O1.
What is the InChIKey of [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate?
The InChIKey is FQQSCKJDPMNEBO-ZFFYZDHPSA-N. The full InChI is InChI=1S/C26H33N3O6Si/c1-18(30)33-23-16-24(34-19(2)31)35-25(23)22(28-29-27)17-32-36(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23+,24-,25-/m1/s1.
What are the key properties of [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate?
[(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate has a molecular weight of 511.65 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-5-acetyloxy-2-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-yl] acetate is sourced from PubChem (CID 10697069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).