sodium;oxaldehydate;sulfanediol

C2H3NaO5S — CID 129165189

IUPACsodium;oxaldehydate;sulfanediol
SMILESO=CC(=O)[O-].OSO.[Na+]
InChIInChI=1S/C2H2O3.Na.H2O2S/c3-1-2(4)5;;1-3-2/h1H,(H,4,5);;1-2H/q;+1;/p-1
InChIKeyBXDJAMUWAGMFID-UHFFFAOYSA-M
MW162.10 g/mol
LogP-4.40
Rot. Bonds1

About sodium;oxaldehydate;sulfanediol

sodium;oxaldehydate;sulfanediol (PubChem CID 129165189) has the molecular formula C2H3NaO5S and a molecular weight of 162.10 g/mol. Its IUPAC name is sodium;oxaldehydate;sulfanediol.

Molecular Properties

Compound Namesodium;oxaldehydate;sulfanediol
PubChem CID129165189
Molecular FormulaC2H3NaO5S
Molecular Weight162.10 g/mol
Exact Mass161.96
IUPAC Namesodium;oxaldehydate;sulfanediol
SMILESO=CC(=O)[O-].OSO.[Na+]
InChIInChI=1S/C2H2O3.Na.H2O2S/c3-1-2(4)5;;1-3-2/h1H,(H,4,5);;1-2H/q;+1;/p-1
InChIKeyBXDJAMUWAGMFID-UHFFFAOYSA-M
XLogP-4.40
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 5-4.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze sodium;oxaldehydate;sulfanediol 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

sodium;oxaldehydate;hydrate
CID 23720423
manganese(2+);oxaldehydate
CID 88753810
iridium(3+);oxaldehydate;trihydrate
CID 159707808
disodium;(Z)-but-2-enedioate
CID 6364608
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
disodium;(Z)-but-2-enedioate;dihydrate
CID 90473230
hexadecasodium;octacarbonate
CID 141056250
(E)-but-2-enedioate
CID 5460307
disodium;but-2-enedioate;oxalic acid
CID 162123312
sodium;lanthanum(3+);dicarbonate
CID 14550042
sodium;silicon(4+);carbonate
CID 158531104

Frequently Asked Questions

What is the IUPAC name of sodium;oxaldehydate;sulfanediol?
The IUPAC name of sodium;oxaldehydate;sulfanediol (CID 129165189) is sodium;oxaldehydate;sulfanediol.
What is the SMILES notation for sodium;oxaldehydate;sulfanediol?
The canonical SMILES for sodium;oxaldehydate;sulfanediol is O=CC(=O)[O-].OSO.[Na+].
What is the InChIKey of sodium;oxaldehydate;sulfanediol?
The InChIKey is BXDJAMUWAGMFID-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O3.Na.H2O2S/c3-1-2(4)5;;1-3-2/h1H,(H,4,5);;1-2H/q;+1;/p-1.
What are the key properties of sodium;oxaldehydate;sulfanediol?
sodium;oxaldehydate;sulfanediol has a molecular weight of 162.10 g/mol, XLogP of -4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxaldehydate;sulfanediol is sourced from PubChem (CID 129165189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).