tetrasodium;acetic acid;azane;hydride;phosphoric acid

C2H17N2Na4O6P — CID 173436604

IUPACtetrasodium;acetic acid;azane;hydride;phosphoric acid
SMILESCC(=O)O.N.N.O=P(O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.2H3N.4Na.H3O4P.4H/c1-2(3)4;;;;;;;1-5(2,3)4;;;;/h1H3,(H,3,4);2*1H3;;;;;(H3,1,2,3,4);;;;/q;;;4*+1;;4*-1
InChIKeyNCWPFZSSSAYMRH-UHFFFAOYSA-N
MW288.10 g/mol
LogP-12.05
Rot. Bonds

About tetrasodium;acetic acid;azane;hydride;phosphoric acid

tetrasodium;acetic acid;azane;hydride;phosphoric acid (PubChem CID 173436604) has the molecular formula C2H17N2Na4O6P and a molecular weight of 288.10 g/mol. Its IUPAC name is tetrasodium;acetic acid;azane;hydride;phosphoric acid.

Molecular Properties

Compound Nametetrasodium;acetic acid;azane;hydride;phosphoric acid
PubChem CID173436604
Molecular FormulaC2H17N2Na4O6P
Molecular Weight288.10 g/mol
Exact Mass288.04
IUPAC Nametetrasodium;acetic acid;azane;hydride;phosphoric acid
SMILESCC(=O)O.N.N.O=P(O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.2H3N.4Na.H3O4P.4H/c1-2(3)4;;;;;;;1-5(2,3)4;;;;/h1H3,(H,3,4);2*1H3;;;;;(H3,1,2,3,4);;;;/q;;;4*+1;;4*-1
InChIKeyNCWPFZSSSAYMRH-UHFFFAOYSA-N
XLogP-12.05
TPSA185.06 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.10
LogP ≤ 5-12.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173423110
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Frequently Asked Questions

What is the IUPAC name of tetrasodium;acetic acid;azane;hydride;phosphoric acid?
The IUPAC name of tetrasodium;acetic acid;azane;hydride;phosphoric acid (CID 173436604) is tetrasodium;acetic acid;azane;hydride;phosphoric acid.
What is the SMILES notation for tetrasodium;acetic acid;azane;hydride;phosphoric acid?
The canonical SMILES for tetrasodium;acetic acid;azane;hydride;phosphoric acid is CC(=O)O.N.N.O=P(O)(O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;acetic acid;azane;hydride;phosphoric acid?
The InChIKey is NCWPFZSSSAYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2H3N.4Na.H3O4P.4H/c1-2(3)4;;;;;;;1-5(2,3)4;;;;/h1H3,(H,3,4);2*1H3;;;;;(H3,1,2,3,4);;;;/q;;;4*+1;;4*-1.
What are the key properties of tetrasodium;acetic acid;azane;hydride;phosphoric acid?
tetrasodium;acetic acid;azane;hydride;phosphoric acid has a molecular weight of 288.10 g/mol, XLogP of -12.05, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;acetic acid;azane;hydride;phosphoric acid is sourced from PubChem (CID 173436604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).