trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite

C6H14Mg3N2O8P2 — CID 173217572

IUPACtrimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite
SMILESNCCCC[C@H](N)C(=O)O.[Mg+2].[Mg+2].[Mg+2].[O-]P([O-])[O-].[O-]P([O-])[O-]
InChIInChI=1S/C6H14N2O2.3Mg.2O3P/c7-4-2-1-3-5(8)6(9)10;;;;2*1-4(2)3/h5H,1-4,7-8H2,(H,9,10);;;;;/q;3*+2;2*-3/t5-;;;;;/m0...../s1
InChIKeyFICUOKXBNZCGCL-HNJBGNBTSA-N
MW377.05 g/mol
LogP-7.03
Rot. Bonds5

About trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite

trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite (PubChem CID 173217572) has the molecular formula C6H14Mg3N2O8P2 and a molecular weight of 377.05 g/mol. Its IUPAC name is trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite.

Molecular Properties

Compound Nametrimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite
PubChem CID173217572
Molecular FormulaC6H14Mg3N2O8P2
Molecular Weight377.05 g/mol
Exact Mass375.98
IUPAC Nametrimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite
SMILESNCCCC[C@H](N)C(=O)O.[Mg+2].[Mg+2].[Mg+2].[O-]P([O-])[O-].[O-]P([O-])[O-]
InChIInChI=1S/C6H14N2O2.3Mg.2O3P/c7-4-2-1-3-5(8)6(9)10;;;;2*1-4(2)3/h5H,1-4,7-8H2,(H,9,10);;;;;/q;3*+2;2*-3/t5-;;;;;/m0...../s1
InChIKeyFICUOKXBNZCGCL-HNJBGNBTSA-N
XLogP-7.03
TPSA227.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.05
LogP ≤ 5-7.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite?
The IUPAC name of trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite (CID 173217572) is trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite.
What is the SMILES notation for trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite?
The canonical SMILES for trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite is NCCCC[C@H](N)C(=O)O.[Mg+2].[Mg+2].[Mg+2].[O-]P([O-])[O-].[O-]P([O-])[O-].
What is the InChIKey of trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite?
The InChIKey is FICUOKXBNZCGCL-HNJBGNBTSA-N. The full InChI is InChI=1S/C6H14N2O2.3Mg.2O3P/c7-4-2-1-3-5(8)6(9)10;;;;2*1-4(2)3/h5H,1-4,7-8H2,(H,9,10);;;;;/q;3*+2;2*-3/t5-;;;;;/m0...../s1.
What are the key properties of trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite?
trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite has a molecular weight of 377.05 g/mol, XLogP of -7.03, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite is sourced from PubChem (CID 173217572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).