actinium;2-azidopropane-1,3-diol

C3H7Ac2N3O2 — CID 20686054

IUPACactinium;2-azidopropane-1,3-diol
SMILES[Ac].[Ac].[N-]=[N+]=NC(CO)CO
InChIInChI=1S/C3H7N3O2.2Ac/c4-6-5-3(1-7)2-8;;/h3,7-8H,1-2H2;;
InChIKeyMGHBDVJXZMFKHW-UHFFFAOYSA-N
MW571.11 g/mol
LogP-0.35
Rot. Bonds3

About actinium;2-azidopropane-1,3-diol

actinium;2-azidopropane-1,3-diol (PubChem CID 20686054) has the molecular formula C3H7Ac2N3O2 and a molecular weight of 571.11 g/mol. Its IUPAC name is actinium;2-azidopropane-1,3-diol.

Molecular Properties

Compound Nameactinium;2-azidopropane-1,3-diol
PubChem CID20686054
Molecular FormulaC3H7Ac2N3O2
Molecular Weight571.11 g/mol
Exact Mass571.11
IUPAC Nameactinium;2-azidopropane-1,3-diol
SMILES[Ac].[Ac].[N-]=[N+]=NC(CO)CO
InChIInChI=1S/C3H7N3O2.2Ac/c4-6-5-3(1-7)2-8;;/h3,7-8H,1-2H2;;
InChIKeyMGHBDVJXZMFKHW-UHFFFAOYSA-N
XLogP-0.35
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.11
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of actinium;2-azidopropane-1,3-diol?
The IUPAC name of actinium;2-azidopropane-1,3-diol (CID 20686054) is actinium;2-azidopropane-1,3-diol.
What is the SMILES notation for actinium;2-azidopropane-1,3-diol?
The canonical SMILES for actinium;2-azidopropane-1,3-diol is [Ac].[Ac].[N-]=[N+]=NC(CO)CO.
What is the InChIKey of actinium;2-azidopropane-1,3-diol?
The InChIKey is MGHBDVJXZMFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.2Ac/c4-6-5-3(1-7)2-8;;/h3,7-8H,1-2H2;;.
What are the key properties of actinium;2-azidopropane-1,3-diol?
actinium;2-azidopropane-1,3-diol has a molecular weight of 571.11 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-azidopropane-1,3-diol is sourced from PubChem (CID 20686054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).