gadolinium;sulfurous acid;trihydrate

H12Gd2O12S3 — CID 165362772

IUPACgadolinium;sulfurous acid;trihydrate
SMILESO.O.O.O=S(O)O.O=S(O)O.O=S(O)O.[Gd].[Gd]
InChIInChI=1S/2Gd.3H2O3S.3H2O/c;;3*1-4(2)3;;;/h;;3*(H2,1,2,3);3*1H2
InChIKeyPMMYPECYTKHANL-UHFFFAOYSA-N
MW614.79 g/mol
LogP-3.43
Rot. Bonds

About gadolinium;sulfurous acid;trihydrate

gadolinium;sulfurous acid;trihydrate (PubChem CID 165362772) has the molecular formula H12Gd2O12S3 and a molecular weight of 614.79 g/mol. Its IUPAC name is gadolinium;sulfurous acid;trihydrate.

Molecular Properties

Compound Namegadolinium;sulfurous acid;trihydrate
PubChem CID165362772
Molecular FormulaH12Gd2O12S3
Molecular Weight614.79 g/mol
Exact Mass615.80
IUPAC Namegadolinium;sulfurous acid;trihydrate
SMILESO.O.O.O=S(O)O.O=S(O)O.O=S(O)O.[Gd].[Gd]
InChIInChI=1S/2Gd.3H2O3S.3H2O/c;;3*1-4(2)3;;;/h;;3*(H2,1,2,3);3*1H2
InChIKeyPMMYPECYTKHANL-UHFFFAOYSA-N
XLogP-3.43
TPSA267.09 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 5-3.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131842919
CID 131842919
azane;sulfurous acid;trihydrate
CID 173299945
azane;sulfurous acid;dihydrate
CID 172742150
sodium;hydride;sulfurous acid;hydrate
CID 173091815
potassium;hydride;sulfurous acid;dihydrate
CID 173187003
sodium;hydride;sulfurous acid;nonahydrate
CID 173340103
disodium;hydride;sulfurous acid;hydrate
CID 173356771
hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424
CID 139595971
CID 139595971
iron;sulfurous acid
CID 175438968
arsane;sulfurous acid
CID 173343664

Frequently Asked Questions

What is the IUPAC name of gadolinium;sulfurous acid;trihydrate?
The IUPAC name of gadolinium;sulfurous acid;trihydrate (CID 165362772) is gadolinium;sulfurous acid;trihydrate.
What is the SMILES notation for gadolinium;sulfurous acid;trihydrate?
The canonical SMILES for gadolinium;sulfurous acid;trihydrate is O.O.O.O=S(O)O.O=S(O)O.O=S(O)O.[Gd].[Gd].
What is the InChIKey of gadolinium;sulfurous acid;trihydrate?
The InChIKey is PMMYPECYTKHANL-UHFFFAOYSA-N. The full InChI is InChI=1S/2Gd.3H2O3S.3H2O/c;;3*1-4(2)3;;;/h;;3*(H2,1,2,3);3*1H2.
What are the key properties of gadolinium;sulfurous acid;trihydrate?
gadolinium;sulfurous acid;trihydrate has a molecular weight of 614.79 g/mol, XLogP of -3.43, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium;sulfurous acid;trihydrate is sourced from PubChem (CID 165362772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).