sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)

C12H20NNaO14 — CID 173264516

IUPACsodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
SMILESN.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/2C6H8O7.H3N.Na.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;;/q;;;+1;-1
InChIKeyLJBIYOFLEBEFOF-UHFFFAOYSA-N
MW425.28 g/mol
LogP-5.22
Rot. Bonds10

About sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)

sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid) (PubChem CID 173264516) has the molecular formula C12H20NNaO14 and a molecular weight of 425.28 g/mol. Its IUPAC name is sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid).

Molecular Properties

Compound Namesodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
PubChem CID173264516
Molecular FormulaC12H20NNaO14
Molecular Weight425.28 g/mol
Exact Mass425.08
IUPAC Namesodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
SMILESN.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/2C6H8O7.H3N.Na.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;;/q;;;+1;-1
InChIKeyLJBIYOFLEBEFOF-UHFFFAOYSA-N
XLogP-5.22
TPSA299.26 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 5-5.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
CID 173238603
CID 173238603
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173061207
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
CID 173339742
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
CID 86661525

Frequently Asked Questions

What is the IUPAC name of sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)?
The IUPAC name of sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid) (CID 173264516) is sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid).
What is the SMILES notation for sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)?
The canonical SMILES for sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid) is N.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)?
The InChIKey is LJBIYOFLEBEFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O7.H3N.Na.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;;/q;;;+1;-1.
What are the key properties of sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)?
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid) has a molecular weight of 425.28 g/mol, XLogP of -5.22, 10 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid) is sourced from PubChem (CID 173264516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).