bis(3-azidopropoxy)-oxophosphanium

C6H12N6O3P+ — CID 175216495

IUPACbis(3-azidopropoxy)-oxophosphanium
SMILES[N-]=[N+]=NCCCO[P+](=O)OCCCN=[N+]=[N-]
InChIInChI=1S/C6H12N6O3P/c7-11-9-3-1-5-14-16(13)15-6-2-4-10-12-8/h1-6H2/q+1
InChIKeyIQHZQEDBODTECZ-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.08
Rot. Bonds10

About bis(3-azidopropoxy)-oxophosphanium

bis(3-azidopropoxy)-oxophosphanium (PubChem CID 175216495) has the molecular formula C6H12N6O3P+ and a molecular weight of 247.17 g/mol. Its IUPAC name is bis(3-azidopropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-azidopropoxy)-oxophosphanium
PubChem CID175216495
Molecular FormulaC6H12N6O3P+
Molecular Weight247.17 g/mol
Exact Mass247.07
IUPAC Namebis(3-azidopropoxy)-oxophosphanium
SMILES[N-]=[N+]=NCCCO[P+](=O)OCCCN=[N+]=[N-]
InChIInChI=1S/C6H12N6O3P/c7-11-9-3-1-5-14-16(13)15-6-2-4-10-12-8/h1-6H2/q+1
InChIKeyIQHZQEDBODTECZ-UHFFFAOYSA-N
XLogP3.08
TPSA133.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-(2-azidoethoxy)propane
CID 161084189
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
CID 59378910
1,14-diazidotetradecane
CID 146463967
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
1,5-bis(2-azidoethoxy)pentane
CID 130260836
4-(4-azidobutoxy)butan-1-amine
CID 151331524
1-azido-3-nitrosopropane
CID 90131569
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
dihexadecoxy(oxo)phosphanium
CID 6336657
dioctadecoxy(oxo)phosphanium
CID 6327799

Frequently Asked Questions

What is the IUPAC name of bis(3-azidopropoxy)-oxophosphanium?
The IUPAC name of bis(3-azidopropoxy)-oxophosphanium (CID 175216495) is bis(3-azidopropoxy)-oxophosphanium.
What is the SMILES notation for bis(3-azidopropoxy)-oxophosphanium?
The canonical SMILES for bis(3-azidopropoxy)-oxophosphanium is [N-]=[N+]=NCCCO[P+](=O)OCCCN=[N+]=[N-].
What is the InChIKey of bis(3-azidopropoxy)-oxophosphanium?
The InChIKey is IQHZQEDBODTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O3P/c7-11-9-3-1-5-14-16(13)15-6-2-4-10-12-8/h1-6H2/q+1.
What are the key properties of bis(3-azidopropoxy)-oxophosphanium?
bis(3-azidopropoxy)-oxophosphanium has a molecular weight of 247.17 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-azidopropoxy)-oxophosphanium is sourced from PubChem (CID 175216495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).