calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride

C6H22CaCl3MgN4NaO2 — CID 175124660

IUPACcalcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride
SMILESCl.Cl.Cl.NC(N)=NCCCC(N)C(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C6H14N4O2.Ca.3ClH.Mg.Na.5H/c7-4(5(11)12)2-1-3-10-6(8)9;;;;;;;;;;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);;3*1H;;;;;;;/q;+2;;;;+2;+1;5*-1
InChIKeyBRBJBFQSOUBDCE-UHFFFAOYSA-N
MW376.00 g/mol
LogP-3.48
Rot. Bonds5

About calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride

calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride (PubChem CID 175124660) has the molecular formula C6H22CaCl3MgN4NaO2 and a molecular weight of 376.00 g/mol. Its IUPAC name is calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride.

Molecular Properties

Compound Namecalcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride
PubChem CID175124660
Molecular FormulaC6H22CaCl3MgN4NaO2
Molecular Weight376.00 g/mol
Exact Mass374.02
IUPAC Namecalcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride
SMILESCl.Cl.Cl.NC(N)=NCCCC(N)C(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Na+]
InChIInChI=1S/C6H14N4O2.Ca.3ClH.Mg.Na.5H/c7-4(5(11)12)2-1-3-10-6(8)9;;;;;;;;;;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);;3*1H;;;;;;;/q;+2;;;;+2;+1;5*-1
InChIKeyBRBJBFQSOUBDCE-UHFFFAOYSA-N
XLogP-3.48
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.00
LogP ≤ 5-3.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride?
The IUPAC name of calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride (CID 175124660) is calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride.
What is the SMILES notation for calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride?
The canonical SMILES for calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride is Cl.Cl.Cl.NC(N)=NCCCC(N)C(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Na+].
What is the InChIKey of calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride?
The InChIKey is BRBJBFQSOUBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.Ca.3ClH.Mg.Na.5H/c7-4(5(11)12)2-1-3-10-6(8)9;;;;;;;;;;;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);;3*1H;;;;;;;/q;+2;;;;+2;+1;5*-1.
What are the key properties of calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride?
calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride has a molecular weight of 376.00 g/mol, XLogP of -3.48, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride is sourced from PubChem (CID 175124660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).