pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate

C4H13N3Na15O20P5 — CID 175158292

IUPACpentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
SMILESNCCNCCN.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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H13N3.15Na.5H3O4P/c5-1-3-7-4-2-6;;;;;;;;;;;;;;;;5*1-5(2,3)4/h7H,1-6H2;;;;;;;;;;;;;;;;5*(H3,1,2,3,4)/q;15*+1;;;;;/p-15
InChIKeyHLVGKRMATDLDOJ-UHFFFAOYSA-A
MW922.87 g/mol
LogP-60.57
Rot. Bonds4

About pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate

pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate (PubChem CID 175158292) has the molecular formula C4H13N3Na15O20P5 and a molecular weight of 922.87 g/mol. Its IUPAC name is pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate.

Molecular Properties

Compound Namepentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
PubChem CID175158292
Molecular FormulaC4H13N3Na15O20P5
Molecular Weight922.87 g/mol
Exact Mass922.72
IUPAC Namepentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
SMILESNCCNCCN.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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H13N3.15Na.5H3O4P/c5-1-3-7-4-2-6;;;;;;;;;;;;;;;;5*1-5(2,3)4/h7H,1-6H2;;;;;;;;;;;;;;;;5*(H3,1,2,3,4)/q;15*+1;;;;;/p-15
InChIKeyHLVGKRMATDLDOJ-UHFFFAOYSA-A
XLogP-60.57
TPSA495.32 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.87
LogP ≤ 5-60.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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Related Compounds

calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)
CID 91884765
dodecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;tetraborate
CID 159570968
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
(2-aminoethylamino) phosphate;manganese(2+)
CID 175393374
sodium 2-(2-aminoethylamino)ethanesulfonate
CID 23686675
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463

Frequently Asked Questions

What is the IUPAC name of pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate?
The IUPAC name of pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate (CID 175158292) is pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate.
What is the SMILES notation for pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate?
The canonical SMILES for pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate is NCCNCCN.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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate?
The InChIKey is HLVGKRMATDLDOJ-UHFFFAOYSA-A. The full InChI is InChI=1S/C4H13N3.15Na.5H3O4P/c5-1-3-7-4-2-6;;;;;;;;;;;;;;;;5*1-5(2,3)4/h7H,1-6H2;;;;;;;;;;;;;;;;5*(H3,1,2,3,4)/q;15*+1;;;;;/p-15.
What are the key properties of pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate?
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate has a molecular weight of 922.87 g/mol, XLogP of -60.57, 4 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate is sourced from PubChem (CID 175158292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).