5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

C26H37N3O5Si — CID 14408476

IUPAC5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1N=[N+]=[N-]
InChIInChI=1S/C26H37N3O5Si/c1-26(2,3)35(4,5)34-25-22(28-29-27)24(32-17-20-14-10-7-11-15-20)23(30)21(33-25)18-31-16-19-12-8-6-9-13-19/h6-15,21-25,30H,16-18H2,1-5H3
InChIKeyWKFBPKLAVHGDDJ-UHFFFAOYSA-N
MW499.68 g/mol
LogP5.58
Rot. Bonds10

About 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 14408476) has the molecular formula C26H37N3O5Si and a molecular weight of 499.68 g/mol. Its IUPAC name is 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
PubChem CID14408476
Molecular FormulaC26H37N3O5Si
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
SMILESCC(C)(C)[Si](C)(C)OC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1N=[N+]=[N-]
InChIInChI=1S/C26H37N3O5Si/c1-26(2,3)35(4,5)34-25-22(28-29-27)24(32-17-20-14-10-7-11-15-20)23(30)21(33-25)18-31-16-19-12-8-6-9-13-19/h6-15,21-25,30H,16-18H2,1-5H3
InChIKeyWKFBPKLAVHGDDJ-UHFFFAOYSA-N
XLogP5.58
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.68
LogP ≤ 55.58
H-Bond Donors ≤ 51
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

(5-Amino-4-azido-3,6-bis-benzyloxy-tetrahydro-pyran-2-yl)-methanol
CID 20979040
(4,5-Diamino-3,6-bis-benzyloxy-tetrahydro-pyran-2-yl)-methanol
CID 20979039
[(2R,3S,4S,5R,6R)-4,5-diamino-3,6-dibenzyloxy-tetrahydropyran-2-yl]methanol
CID 485310
[(2R,3S,4S,5R,6R)-5-amino-4-azido-3,6-dibenzyloxy-tetrahydropyran-2-yl]methanol
CID 485311
Agn-PC-00efma
CID 4190357
D-Glucopyranose, 2-azido-2-deoxy-3,4-bis-o-(phenylmethyl)-1,6-diacetate
CID 12775727
[(2R,3R,4R,5R)-5-azido-6-hydroxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
CID 134878444
(3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 10983616
1,6-Anhydro-2-azido-4-O-benzyl-2-deoxy-b-D-glucopyranose
CID 11737491
(3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 12170840
(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 15224253
6-O-Acetyl-2-azido-3,4-di-O-benzyl-2-deoxy-D-glucopyranose
CID 16210715

Frequently Asked Questions

What is the IUPAC name of 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol (CID 14408476) is 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol is CC(C)(C)[Si](C)(C)OC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1N=[N+]=[N-].
What is the InChIKey of 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is WKFBPKLAVHGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5Si/c1-26(2,3)35(4,5)34-25-22(28-29-27)24(32-17-20-14-10-7-11-15-20)23(30)21(33-25)18-31-16-19-12-8-6-9-13-19/h6-15,21-25,30H,16-18H2,1-5H3.
What are the key properties of 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol?
5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 499.68 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 14408476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).