sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide

C50H89IN7NaO21S — CID 159262816

About sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide

sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide (PubChem CID 159262816) has the molecular formula C50H89IN7NaO21S and a molecular weight of 1306.25 g/mol. Its IUPAC name is sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide.

Molecular Properties

• Compound Name: sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide
• PubChem CID: 159262816
• Molecular Formula: C50H89IN7NaO21S
• Molecular Weight: 1306.25 g/mol
• Exact Mass: 1305.48
• IUPAC Name: sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide
• SMILES: NCC1OC2OCCCCC1C(O)C2O.OC1C2OCCCCC(C(CI)O2)C1O.OC1C2OCCCCC(C(CS)O2)C1O.OCC1OC2OCCCCC1C(O)C2O.[N-]=[N+]=NCC1OC2OCCCCC1C(O)C2O.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C10H17IO4.C10H17N3O4.C10H19NO4.C10H18O5.C10H18O4S.N3.Na/c11-5-7-6-3-1-2-4-14-10(15-7)9(13)8(6)12;11-13-12-5-7-6-3-1-2-4-16-10(17-7)9(15)8(6)14;2*11-5-7-6-3-1-2-4-14-10(15-7)9(13)8(6)12;11-8-6-3-1-2-4-13-10(9(8)12)14-7(6)5-15;1-3-2;/h6-10,12-13H,1-5H2;6-10,14-15H,1-5H2;6-10,12-13H,1-5,11H2;6-13H,1-5H2;6-12,15H,1-5H2;;/q;;;;;-1;+1
• InChIKey: ODHJYJOMYQPRAJ-UHFFFAOYSA-N
• XLogP: -2.25
• TPSA: 448.31 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1306.25
LogP ≤ 5	-2.25
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide?

The IUPAC name of sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide (CID 159262816) is sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide.

What is the SMILES notation for sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide?

The canonical SMILES for sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide is NCC1OC2OCCCCC1C(O)C2O.OC1C2OCCCCC(C(CI)O2)C1O.OC1C2OCCCCC(C(CS)O2)C1O.OCC1OC2OCCCCC1C(O)C2O.[N-]=[N+]=NCC1OC2OCCCCC1C(O)C2O.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide?

The InChIKey is ODHJYJOMYQPRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO4.C10H17N3O4.C10H19NO4.C10H18O5.C10H18O4S.N3.Na/c11-5-7-6-3-1-2-4-14-10(15-7)9(13)8(6)12;11-13-12-5-7-6-3-1-2-4-16-10(17-7)9(15)8(6)14;2*11-5-7-6-3-1-2-4-14-10(15-7)9(13)8(6)12;11-8-6-3-1-2-4-13-10(9(8)12)14-7(6)5-15;1-3-2;/h6-10,12-13H,1-5H2;6-10,14-15H,1-5H2;6-10,12-13H,1-5,11H2;6-13H,1-5H2;6-12,15H,1-5H2;;/q;;;;;-1;+1.

What are the key properties of sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide?

sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide has a molecular weight of 1306.25 g/mol, XLogP of -2.25, 6 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;8-(aminomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(azidomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(hydroxymethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(iodomethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;8-(sulfanylmethyl)-2,9-dioxabicyclo[5.2.2]undecane-10,11-diol;azide is sourced from PubChem (CID 159262816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).