(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol

C25H35N3O5Si — CID 59765608

IUPAC(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
SMILESCCOC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC)[C@H](O)C1N=[N+]=[N-]
InChIInChI=1S/C25H35N3O5Si/c1-6-31-24-21(27-28-26)22(29)23(30-5)20(33-24)17-32-34(25(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-24,29H,6,17H2,1-5H3/t20?,21?,22-,23+,24?/m1/s1
InChIKeyIMYCMFOHDKYSBG-BRBRSKPPSA-N
MW485.66 g/mol
LogP3.38
Rot. Bonds9

About (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol

(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol (PubChem CID 59765608) has the molecular formula C25H35N3O5Si and a molecular weight of 485.66 g/mol. Its IUPAC name is (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
PubChem CID59765608
Molecular FormulaC25H35N3O5Si
Molecular Weight485.66 g/mol
Exact Mass485.23
IUPAC Name(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
SMILESCCOC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC)[C@H](O)C1N=[N+]=[N-]
InChIInChI=1S/C25H35N3O5Si/c1-6-31-24-21(27-28-26)22(29)23(30-5)20(33-24)17-32-34(25(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-24,29H,6,17H2,1-5H3/t20?,21?,22-,23+,24?/m1/s1
InChIKeyIMYCMFOHDKYSBG-BRBRSKPPSA-N
XLogP3.38
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 53.38
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

(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
(5-azido-3,4-bis(benzyloxy)-6-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-yl)methanol
CID 14561095
[(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
Methyl 2-azido-3-O-benzyl-6-O-tert-butyldiphenylsilyl-2-deoxy-alpha-D-glucopyranoside
CID 52918394
(1S)-1-[(4R,5R)-5-[(1S)-1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 56926124
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10983903
5-Azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14408476
[(3S,4S,5R,6R)-1-butyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxypiperidin-3-yl] 2-methylpropyl carbonate
CID 57165871

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
The IUPAC name of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol (CID 59765608) is (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol.
What is the SMILES notation for (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
The canonical SMILES for (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol is CCOC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC)[C@H](O)C1N=[N+]=[N-].
What is the InChIKey of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
The InChIKey is IMYCMFOHDKYSBG-BRBRSKPPSA-N. The full InChI is InChI=1S/C25H35N3O5Si/c1-6-31-24-21(27-28-26)22(29)23(30-5)20(33-24)17-32-34(25(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-24,29H,6,17H2,1-5H3/t20?,21?,22-,23+,24?/m1/s1.
What are the key properties of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol has a molecular weight of 485.66 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol is sourced from PubChem (CID 59765608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).