octadecaazanium;hexaphosphate

H72N18O24P6 — CID 158249396

IUPACoctadecaazanium;hexaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/18H3N.6H3O4P/c;;;;;;;;;;;;;;;;;;6*1-5(2,3)4/h18*1H3;6*(H3,1,2,3,4)
InChIKeyGGNITSKYAIKFCG-UHFFFAOYSA-N
MW894.52 g/mol
LogP-10.18
Rot. Bonds

About octadecaazanium;hexaphosphate

octadecaazanium;hexaphosphate (PubChem CID 158249396) has the molecular formula H72N18O24P6 and a molecular weight of 894.52 g/mol. Its IUPAC name is octadecaazanium;hexaphosphate.

Molecular Properties

Compound Nameoctadecaazanium;hexaphosphate
PubChem CID158249396
Molecular FormulaH72N18O24P6
Molecular Weight894.52 g/mol
Exact Mass894.34
IUPAC Nameoctadecaazanium;hexaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/18H3N.6H3O4P/c;;;;;;;;;;;;;;;;;;6*1-5(2,3)4/h18*1H3;6*(H3,1,2,3,4)
InChIKeyGGNITSKYAIKFCG-UHFFFAOYSA-N
XLogP-10.18
TPSA1174.50 Ų
H-Bond Donors18
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.52
LogP ≤ 5-10.18
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze octadecaazanium;hexaphosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium;sodium;phosphate
CID 22506365
azanium;calcium;phosphate;hydrate
CID 19878656
azanium;iron;fluoride;phosphate
CID 3014654
zirconium diphosphate
CID 3014757
bis(nickel(2+));hydroxide;phosphate
CID 11665794
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829
tris(thorium(4+));tetraphosphate
CID 21475626
molybdenum diphosphate
CID 22395595
dipotassium diphosphate
CID 18612384
zinc phosphate
CID 131721340
CID 23618830
CID 23618830

Frequently Asked Questions

What is the IUPAC name of octadecaazanium;hexaphosphate?
The IUPAC name of octadecaazanium;hexaphosphate (CID 158249396) is octadecaazanium;hexaphosphate.
What is the SMILES notation for octadecaazanium;hexaphosphate?
The canonical SMILES for octadecaazanium;hexaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of octadecaazanium;hexaphosphate?
The InChIKey is GGNITSKYAIKFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/18H3N.6H3O4P/c;;;;;;;;;;;;;;;;;;6*1-5(2,3)4/h18*1H3;6*(H3,1,2,3,4).
What are the key properties of octadecaazanium;hexaphosphate?
octadecaazanium;hexaphosphate has a molecular weight of 894.52 g/mol, XLogP of -10.18, 0 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for octadecaazanium;hexaphosphate is sourced from PubChem (CID 158249396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).