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

C25H35N3O5Si — CID 71072339

IUPAC(3S,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-KHBCSNCASA-N
MW485.66 g/mol
LogP3.38
Rot. Bonds9

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

(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol (PubChem CID 71072339) has the molecular formula C25H35N3O5Si and a molecular weight of 485.66 g/mol. Its IUPAC name is (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
PubChem CID71072339
Molecular FormulaC25H35N3O5Si
Molecular Weight485.66 g/mol
Exact Mass485.23
IUPAC Name(3S,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-KHBCSNCASA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
The IUPAC name of (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol (CID 71072339) is (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol.
What is the SMILES notation for (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
The canonical SMILES for (3S,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 (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
The InChIKey is IMYCMFOHDKYSBG-KHBCSNCASA-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 (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol?
(3S,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 (3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol is sourced from PubChem (CID 71072339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).