decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)

C17H44N3Na10O15P5 — CID 91884765

IUPACdecasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)
SMILESCP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].NCCCCCCNCCCCCCN.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C12H29N3.5CH5O3P.10Na/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;5*1-5(2,3)4;;;;;;;;;;/h15H,1-14H2;5*1H3,(H2,2,3,4);;;;;;;;;;/q;;;;;;10*+1/p-10
InChIKeyXDGGWXPUBUJRBG-UHFFFAOYSA-D
MW915.31 g/mol
LogP-35.70
Rot. Bonds12

About decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)

decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane) (PubChem CID 91884765) has the molecular formula C17H44N3Na10O15P5 and a molecular weight of 915.31 g/mol. Its IUPAC name is decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedecasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)
PubChem CID91884765
Molecular FormulaC17H44N3Na10O15P5
Molecular Weight915.31 g/mol
Exact Mass915.04
IUPAC Namedecasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)
SMILESCP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].NCCCCCCNCCCCCCN.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C12H29N3.5CH5O3P.10Na/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;5*1-5(2,3)4;;;;;;;;;;/h15H,1-14H2;5*1H3,(H2,2,3,4);;;;;;;;;;/q;;;;;;10*+1/p-10
InChIKeyXDGGWXPUBUJRBG-UHFFFAOYSA-D
XLogP-35.70
TPSA380.02 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.31
LogP ≤ 5-35.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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

pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-butyloctadecane-1,18-diamine
CID 19427141
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835

Frequently Asked Questions

What is the IUPAC name of decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)?
The IUPAC name of decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane) (CID 91884765) is decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane) is CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].CP(=O)([O-])[O-].NCCCCCCNCCCCCCN.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)?
The InChIKey is XDGGWXPUBUJRBG-UHFFFAOYSA-D. The full InChI is InChI=1S/C12H29N3.5CH5O3P.10Na/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14;5*1-5(2,3)4;;;;;;;;;;/h15H,1-14H2;5*1H3,(H2,2,3,4);;;;;;;;;;/q;;;;;;10*+1/p-10.
What are the key properties of decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane)?
decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane) has a molecular weight of 915.31 g/mol, XLogP of -35.70, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for decasodium;N'-(6-aminohexyl)hexane-1,6-diamine;pentakis(methyl-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 91884765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).