azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate

C5H18N2O6P2 — CID 139077100

IUPACazanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate
SMILESCCCCC([NH3+])(P(=O)([O-])O)P(=O)([O-])O.[NH4+]
InChIInChI=1S/C5H15NO6P2.H3N/c1-2-3-4-5(6,13(7,8)9)14(10,11)12;/h2-4,6H2,1H3,(H2,7,8,9)(H2,10,11,12);1H3
InChIKeyWKQIGQUAYCELEX-UHFFFAOYSA-N
MW264.15 g/mol
LogP-1.46
Rot. Bonds5

About azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate

azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate (PubChem CID 139077100) has the molecular formula C5H18N2O6P2 and a molecular weight of 264.15 g/mol. Its IUPAC name is azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate.

Molecular Properties

Compound Nameazanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate
PubChem CID139077100
Molecular FormulaC5H18N2O6P2
Molecular Weight264.15 g/mol
Exact Mass264.06
IUPAC Nameazanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate
SMILESCCCCC([NH3+])(P(=O)([O-])O)P(=O)([O-])O.[NH4+]
InChIInChI=1S/C5H15NO6P2.H3N/c1-2-3-4-5(6,13(7,8)9)14(10,11)12;/h2-4,6H2,1H3,(H2,7,8,9)(H2,10,11,12);1H3
InChIKeyWKQIGQUAYCELEX-UHFFFAOYSA-N
XLogP-1.46
TPSA184.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propylnonan-5-ylphosphonic acid
CID 19438491
5-butylnonan-5-amine;phosphoric acid
CID 88962478
phosphoric acid;5-propyl-N-(5-propylnonan-5-yl)nonan-5-amine
CID 87917867
5-aminodecan-5-ol diphosphate
CID 23158796
triazanium;propylazanium;diphosphate
CID 154732334
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
1,1-difluorohexylphosphonic acid
CID 87256620
tris(dibutyl-methyl-(5-propylnonan-5-yl)phosphanium);phosphate
CID 175162407
dodecane;phosphoric acid
CID 88801558
tricalcium;magnesium;bis(octadecanoate);diphosphate
CID 173089489
disodium;2-methylhexan-2-yl phosphate
CID 172708640

Frequently Asked Questions

What is the IUPAC name of azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate?
The IUPAC name of azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate (CID 139077100) is azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate.
What is the SMILES notation for azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate?
The canonical SMILES for azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate is CCCCC([NH3+])(P(=O)([O-])O)P(=O)([O-])O.[NH4+].
What is the InChIKey of azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate?
The InChIKey is WKQIGQUAYCELEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO6P2.H3N/c1-2-3-4-5(6,13(7,8)9)14(10,11)12;/h2-4,6H2,1H3,(H2,7,8,9)(H2,10,11,12);1H3.
What are the key properties of azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate?
azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate has a molecular weight of 264.15 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium [1-azaniumyl-1-[hydroxy(oxido)phosphoryl]pentyl]-hydroxyphosphinate is sourced from PubChem (CID 139077100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).