trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate

C6H8NNa3O8 — CID 159887445

IUPACtrisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
SMILESNO.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.H3NO.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2;;;/q;;3*+1/p-3
InChIKeyNUHSQYQSKJADTM-UHFFFAOYSA-K
MW291.10 g/mol
LogP-14.91
Rot. Bonds5

About trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate

trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 159887445) has the molecular formula C6H8NNa3O8 and a molecular weight of 291.10 g/mol. Its IUPAC name is trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID159887445
Molecular FormulaC6H8NNa3O8
Molecular Weight291.10 g/mol
Exact Mass290.99
IUPAC Nametrisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
SMILESNO.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.H3NO.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2;;;/q;;3*+1/p-3
InChIKeyNUHSQYQSKJADTM-UHFFFAOYSA-K
XLogP-14.91
TPSA186.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 5-14.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate (CID 159887445) is trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate is NO.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is NUHSQYQSKJADTM-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.H3NO.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2;;;/q;;3*+1/p-3.
What are the key properties of trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate?
trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 291.10 g/mol, XLogP of -14.91, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 159887445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).