actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol

C18H31Ac9Br3N6O12 — CID 160707784

About actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol

actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol (PubChem CID 160707784) has the molecular formula C18H31Ac9Br3N6O12 and a molecular weight of 2806.19 g/mol. Its IUPAC name is actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol
• PubChem CID: 160707784
• Molecular Formula: C18H31Ac9Br3N6O12
• Molecular Weight: 2806.19 g/mol
• Exact Mass: 2803.20
• IUPAC Name: actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol
• SMILES: CC1OC(Br)C(O)C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[N-]=[N+]=NC1C(O)C(Br)O[C@H](CO)C1O.[N-]=[N+]=NC[C@H]1OC(Br)C(O)C(O)C1O
• InChI: InChI=1S/2C6H10BrN3O4.C6H11BrO4.9Ac/c7-6-5(13)3(9-10-8)4(12)2(1-11)14-6;7-6-5(13)4(12)3(11)2(14-6)1-9-10-8;1-2-3(8)4(9)5(10)6(7)11-2;;;;;;;;;/h2*2-6,11-13H,1H2;2-6,8-10H,1H3;;;;;;;;;/t2*2-,3?,4?,5?,6?;;;;;;;;;;/m11........../s1
• InChIKey: RMFXBRXDDPFWPC-IGLWYJQBSA-N
• XLogP: -1.79
• TPSA: 307.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2806.19
LogP ≤ 5	-1.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol?

The IUPAC name of actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol (CID 160707784) is actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol.

What is the SMILES notation for actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol?

The canonical SMILES for actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol is CC1OC(Br)C(O)C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[N-]=[N+]=NC1C(O)C(Br)O[C@H](CO)C1O.[N-]=[N+]=NC[C@H]1OC(Br)C(O)C(O)C1O.

What is the InChIKey of actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol?

The InChIKey is RMFXBRXDDPFWPC-IGLWYJQBSA-N. The full InChI is InChI=1S/2C6H10BrN3O4.C6H11BrO4.9Ac/c7-6-5(13)3(9-10-8)4(12)2(1-11)14-6;7-6-5(13)4(12)3(11)2(14-6)1-9-10-8;1-2-3(8)4(9)5(10)6(7)11-2;;;;;;;;;/h2*2-6,11-13H,1H2;2-6,8-10H,1H3;;;;;;;;;/t2*2-,3?,4?,5?,6?;;;;;;;;;;/m11........../s1.

What are the key properties of actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol?

actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol has a molecular weight of 2806.19 g/mol, XLogP of -1.79, 4 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 160707784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).