(3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol

C26H35N3O5Si — CID 21099590

About (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol

(3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol (PubChem CID 21099590) has the molecular formula C26H35N3O5Si and a molecular weight of 497.67 g/mol. Its IUPAC name is (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol.

Molecular Properties

• Compound Name: (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol
• PubChem CID: 21099590
• Molecular Formula: C26H35N3O5Si
• Molecular Weight: 497.67 g/mol
• Exact Mass: 497.23
• IUPAC Name: (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol
• SMILES: CC1(C)O[C@@]2(C)O[C@](O)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@@]2(C)O1
• InChI: InChI=1S/C26H35N3O5Si/c1-22(2,3)35(19-14-10-8-11-15-19,20-16-12-9-13-17-20)31-18-26(30)21(28-29-27)24(6)25(7,34-26)33-23(4,5)32-24/h8-17,21,30H,18H2,1-7H3/t21-,24+,25-,26+/m0/s1
• InChIKey: RWYTXGQQOZTCTL-XDWXJERXSA-N
• XLogP: 4.22
• TPSA: 105.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.67
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol?

The IUPAC name of (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol (CID 21099590) is (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol.

What is the SMILES notation for (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol?

The canonical SMILES for (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol is CC1(C)O[C@@]2(C)O[C@](O)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@@]2(C)O1.

What is the InChIKey of (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol?

The InChIKey is RWYTXGQQOZTCTL-XDWXJERXSA-N. The full InChI is InChI=1S/C26H35N3O5Si/c1-22(2,3)35(19-14-10-8-11-15-19,20-16-12-9-13-17-20)31-18-26(30)21(28-29-27)24(6)25(7,34-26)33-23(4,5)32-24/h8-17,21,30H,18H2,1-7H3/t21-,24+,25-,26+/m0/s1.

What are the key properties of (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol?

(3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol has a molecular weight of 497.67 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol is sourced from PubChem (CID 21099590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).