pentasodium;acetic acid;hydride

C4H9Na5O4 — CID 173433200

IUPACpentasodium;acetic acid;hydride
SMILES[CH2-]C(=O)O.[CH2-]C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C2H3O2.5Na.3H/c2*1-2(3)4;;;;;;;;/h2*1H2,(H,3,4);;;;;;;;/q2*-1;5*+1;3*-1
InChIKeyRESMLHPWCFRHCG-UHFFFAOYSA-N
MW236.06 g/mol
LogP-14.83
Rot. Bonds

About pentasodium;acetic acid;hydride

pentasodium;acetic acid;hydride (PubChem CID 173433200) has the molecular formula C4H9Na5O4 and a molecular weight of 236.06 g/mol. Its IUPAC name is pentasodium;acetic acid;hydride.

Molecular Properties

Compound Namepentasodium;acetic acid;hydride
PubChem CID173433200
Molecular FormulaC4H9Na5O4
Molecular Weight236.06 g/mol
Exact Mass236.00
IUPAC Namepentasodium;acetic acid;hydride
SMILES[CH2-]C(=O)O.[CH2-]C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C2H3O2.5Na.3H/c2*1-2(3)4;;;;;;;;/h2*1H2,(H,3,4);;;;;;;;/q2*-1;5*+1;3*-1
InChIKeyRESMLHPWCFRHCG-UHFFFAOYSA-N
XLogP-14.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 5-14.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173012363
sodium;acetic acid;prop-2-enoic acid
CID 157405919
sodium;carbonic acid;hydride;hydrofluoride
CID 173386411
calcium;disodium;carbonic acid;hydride
CID 174940412
pentadecahectasodium;carbonic acid
CID 173256728
acetic acid;acetic acid;alumane;zinc
CID 174731596
sodium;carbonic acid;hydride;oxalic acid
CID 175474397
tricosasodium;acetic acid;hydride
CID 173423110
sodium;hydride;oxalic acid;zirconium
CID 173001749

Frequently Asked Questions

What is the IUPAC name of pentasodium;acetic acid;hydride?
The IUPAC name of pentasodium;acetic acid;hydride (CID 173433200) is pentasodium;acetic acid;hydride.
What is the SMILES notation for pentasodium;acetic acid;hydride?
The canonical SMILES for pentasodium;acetic acid;hydride is [CH2-]C(=O)O.[CH2-]C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;acetic acid;hydride?
The InChIKey is RESMLHPWCFRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3O2.5Na.3H/c2*1-2(3)4;;;;;;;;/h2*1H2,(H,3,4);;;;;;;;/q2*-1;5*+1;3*-1.
What are the key properties of pentasodium;acetic acid;hydride?
pentasodium;acetic acid;hydride has a molecular weight of 236.06 g/mol, XLogP of -14.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;acetic acid;hydride is sourced from PubChem (CID 173433200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).