sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride

C12H32N4NaO3P — CID 173095096

IUPACsodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
SMILESCCCCCCP(=O)(O)ONCCNCCNCCN.[H-].[Na+]
InChIInChI=1S/C12H31N4O3P.Na.H/c1-2-3-4-5-12-20(17,18)19-16-11-10-15-9-8-14-7-6-13;;/h14-16H,2-13H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyWBHNYHXIQCSGDJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP-2.47
Rot. Bonds15

About sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride

sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride (PubChem CID 173095096) has the molecular formula C12H32N4NaO3P and a molecular weight of 334.38 g/mol. Its IUPAC name is sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride.

Molecular Properties

Compound Namesodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
PubChem CID173095096
Molecular FormulaC12H32N4NaO3P
Molecular Weight334.38 g/mol
Exact Mass334.21
IUPAC Namesodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
SMILESCCCCCCP(=O)(O)ONCCNCCNCCN.[H-].[Na+]
InChIInChI=1S/C12H31N4O3P.Na.H/c1-2-3-4-5-12-20(17,18)19-16-11-10-15-9-8-14-7-6-13;;/h14-16H,2-13H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyWBHNYHXIQCSGDJ-UHFFFAOYSA-N
XLogP-2.47
TPSA108.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 173094919
magnesium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 175098110
[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
sodium;[2-(2-aminoethylamino)ethylamino] [hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate;hydride
CID 175158289
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
[2-(2-aminoethylamino)ethylamino] 2-octyldecanoate
CID 174853897
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895

Frequently Asked Questions

What is the IUPAC name of sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride?
The IUPAC name of sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride (CID 173095096) is sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride.
What is the SMILES notation for sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride?
The canonical SMILES for sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride is CCCCCCP(=O)(O)ONCCNCCNCCN.[H-].[Na+].
What is the InChIKey of sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride?
The InChIKey is WBHNYHXIQCSGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N4O3P.Na.H/c1-2-3-4-5-12-20(17,18)19-16-11-10-15-9-8-14-7-6-13;;/h14-16H,2-13H2,1H3,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride?
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride has a molecular weight of 334.38 g/mol, XLogP of -2.47, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride is sourced from PubChem (CID 173095096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).