tetrasodium;pentanedial;disulfite

C5H8Na4O8S2 — CID 157242168

IUPACtetrasodium;pentanedial;disulfite
SMILESO=CCCCC=O.O=S([O-])[O-].O=S([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C5H8O2.4Na.2H2O3S/c6-4-2-1-3-5-7;;;;;2*1-4(2)3/h4-5H,1-3H2;;;;;2*(H2,1,2,3)/q;4*+1;;/p-4
InChIKeyAVIMKMSIMDFRKB-UHFFFAOYSA-J
MW352.21 g/mol
LogP-13.44
Rot. Bonds4

About tetrasodium;pentanedial;disulfite

tetrasodium;pentanedial;disulfite (PubChem CID 157242168) has the molecular formula C5H8Na4O8S2 and a molecular weight of 352.21 g/mol. Its IUPAC name is tetrasodium;pentanedial;disulfite.

Molecular Properties

Compound Nametetrasodium;pentanedial;disulfite
PubChem CID157242168
Molecular FormulaC5H8Na4O8S2
Molecular Weight352.21 g/mol
Exact Mass351.93
IUPAC Nametetrasodium;pentanedial;disulfite
SMILESO=CCCCC=O.O=S([O-])[O-].O=S([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C5H8O2.4Na.2H2O3S/c6-4-2-1-3-5-7;;;;;2*1-4(2)3/h4-5H,1-3H2;;;;;2*(H2,1,2,3)/q;4*+1;;/p-4
InChIKeyAVIMKMSIMDFRKB-UHFFFAOYSA-J
XLogP-13.44
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 5-13.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze tetrasodium;pentanedial;disulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
hydrazine;pentanedial
CID 19882033
sodium;hydrogen sulfate;pentanedial
CID 23672789
pentanedial;periodic acid
CID 87536343
6-sulfonylhexanal
CID 54064815
octasodium;acetaldehyde;butanal;butanedial;formaldehyde;hydrogen sulfite;pentanedial;propanal
CID 160959060
pentadecanedial
CID 22887412
disodium;sulfite
CID 516934
1-chloro-6-oxohexane-2-sulfinate
CID 174303226
butanal;pentanedial
CID 87991120
CID 58827011
CID 58827011

Frequently Asked Questions

What is the IUPAC name of tetrasodium;pentanedial;disulfite?
The IUPAC name of tetrasodium;pentanedial;disulfite (CID 157242168) is tetrasodium;pentanedial;disulfite.
What is the SMILES notation for tetrasodium;pentanedial;disulfite?
The canonical SMILES for tetrasodium;pentanedial;disulfite is O=CCCCC=O.O=S([O-])[O-].O=S([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;pentanedial;disulfite?
The InChIKey is AVIMKMSIMDFRKB-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H8O2.4Na.2H2O3S/c6-4-2-1-3-5-7;;;;;2*1-4(2)3/h4-5H,1-3H2;;;;;2*(H2,1,2,3)/q;4*+1;;/p-4.
What are the key properties of tetrasodium;pentanedial;disulfite?
tetrasodium;pentanedial;disulfite has a molecular weight of 352.21 g/mol, XLogP of -13.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;pentanedial;disulfite is sourced from PubChem (CID 157242168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).