tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride

C6H20N2Na4O6S2 — CID 175094997

IUPACtetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
SMILESNC(CCCCC(N)S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H16N2O6S2.4Na.4H/c7-5(15(9,10)11)3-1-2-4-6(8)16(12,13)14;;;;;;;;/h5-6H,1-4,7-8H2,(H,9,10,11)(H,12,13,14);;;;;;;;/q;4*+1;4*-1
InChIKeyUBTDEYVBMDUERJ-UHFFFAOYSA-N
MW372.33 g/mol
LogP-12.64
Rot. Bonds7

About tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride

tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride (PubChem CID 175094997) has the molecular formula C6H20N2Na4O6S2 and a molecular weight of 372.33 g/mol. Its IUPAC name is tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride.

Molecular Properties

Compound Nametetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
PubChem CID175094997
Molecular FormulaC6H20N2Na4O6S2
Molecular Weight372.33 g/mol
Exact Mass372.04
IUPAC Nametetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
SMILESNC(CCCCC(N)S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H16N2O6S2.4Na.4H/c7-5(15(9,10)11)3-1-2-4-6(8)16(12,13)14;;;;;;;;/h5-6H,1-4,7-8H2,(H,9,10,11)(H,12,13,14);;;;;;;;/q;4*+1;4*-1
InChIKeyUBTDEYVBMDUERJ-UHFFFAOYSA-N
XLogP-12.64
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 5-12.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride?
The IUPAC name of tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride (CID 175094997) is tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride.
What is the SMILES notation for tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride?
The canonical SMILES for tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride is NC(CCCCC(N)S(=O)(=O)O)S(=O)(=O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride?
The InChIKey is UBTDEYVBMDUERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O6S2.4Na.4H/c7-5(15(9,10)11)3-1-2-4-6(8)16(12,13)14;;;;;;;;/h5-6H,1-4,7-8H2,(H,9,10,11)(H,12,13,14);;;;;;;;/q;4*+1;4*-1.
What are the key properties of tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride?
tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride has a molecular weight of 372.33 g/mol, XLogP of -12.64, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride is sourced from PubChem (CID 175094997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).