triazanium;2-hydroxypropane-1,2,3-tricarboxylate

C6H17N3O7 — CID 18954

IUPACtriazanium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
InChIKeyYWYZEGXAUVWDED-UHFFFAOYSA-N
MW243.22 g/mol
LogP-4.12
Rot. Bonds5

About triazanium;2-hydroxypropane-1,2,3-tricarboxylate

triazanium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 18954) has the molecular formula C6H17N3O7 and a molecular weight of 243.22 g/mol. Its IUPAC name is triazanium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametriazanium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID18954
Molecular FormulaC6H17N3O7
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Nametriazanium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
InChIKeyYWYZEGXAUVWDED-UHFFFAOYSA-N
XLogP-4.12
TPSA250.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-4.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of triazanium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of triazanium;2-hydroxypropane-1,2,3-tricarboxylate (CID 18954) is triazanium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for triazanium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for triazanium;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is YWYZEGXAUVWDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3.
What are the key properties of triazanium;2-hydroxypropane-1,2,3-tricarboxylate?
triazanium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 243.22 g/mol, XLogP of -4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 18954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).