hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine

C6H16N2Na16O24P8 — CID 173054187

IUPAChexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine
SMILESNCCN.O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H8N2.4CH6O6P2.16Na/c3-1-2-4;4*2-8(3,4)1-9(5,6)7;;;;;;;;;;;;;;;;/h1-4H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;;;;;;;;;;;;;;;/q;;;;;16*+1/p-16
InChIKeyTYQRUSKWUQRZHD-UHFFFAOYSA-A
MW1115.82 g/mol
LogP-61.95
Rot. Bonds9

About hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine

hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine (PubChem CID 173054187) has the molecular formula C6H16N2Na16O24P8 and a molecular weight of 1115.82 g/mol. Its IUPAC name is hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine.

Molecular Properties

Compound Namehexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine
PubChem CID173054187
Molecular FormulaC6H16N2Na16O24P8
Molecular Weight1115.82 g/mol
Exact Mass1115.64
IUPAC Namehexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine
SMILESNCCN.O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H8N2.4CH6O6P2.16Na/c3-1-2-4;4*2-8(3,4)1-9(5,6)7;;;;;;;;;;;;;;;;/h1-4H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;;;;;;;;;;;;;;;/q;;;;;16*+1/p-16
InChIKeyTYQRUSKWUQRZHD-UHFFFAOYSA-A
XLogP-61.95
TPSA557.56 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.82
LogP ≤ 5-61.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate
CID 173274669
hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid
CID 53487814
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
phosphonatomethylphosphonic acid
CID 136758999
sodium 2-dioxidophosphinothioyloxyethanamine
CID 22677084
2-aminoethanol;iron(3+);phosphate
CID 87771610
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
tetrasodium;bis(dioxido(oxo)phosphanium);ethane-1,2-diamine
CID 175441784
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031

Frequently Asked Questions

What is the IUPAC name of hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine?
The IUPAC name of hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine (CID 173054187) is hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine.
What is the SMILES notation for hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine?
The canonical SMILES for hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine is NCCN.O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].O=P([O-])([O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine?
The InChIKey is TYQRUSKWUQRZHD-UHFFFAOYSA-A. The full InChI is InChI=1S/C2H8N2.4CH6O6P2.16Na/c3-1-2-4;4*2-8(3,4)1-9(5,6)7;;;;;;;;;;;;;;;;/h1-4H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;;;;;;;;;;;;;;;/q;;;;;16*+1/p-16.
What are the key properties of hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine?
hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine has a molecular weight of 1115.82 g/mol, XLogP of -61.95, 9 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine is sourced from PubChem (CID 173054187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).