dicalcium;disulfo carbonate;hydride;zinc

CH6Ca2O9S2Zn2 — CID 174696696

IUPACdicalcium;disulfo carbonate;hydride;zinc
SMILESO=C(OS(=O)(=O)O)OS(=O)(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[Zn].[Zn]
InChIInChI=1S/CH2O9S2.2Ca.2Zn.4H/c2-1(9-11(3,4)5)10-12(6,7)8;;;;;;;;/h(H,3,4,5)(H,6,7,8);;;;;;;;/q;2*+2;;;4*-1
InChIKeyXNEAENFDBUSZMB-UHFFFAOYSA-N
MW437.12 g/mol
LogP-1.57
Rot. Bonds2

About dicalcium;disulfo carbonate;hydride;zinc

dicalcium;disulfo carbonate;hydride;zinc (PubChem CID 174696696) has the molecular formula CH6Ca2O9S2Zn2 and a molecular weight of 437.12 g/mol. Its IUPAC name is dicalcium;disulfo carbonate;hydride;zinc.

Molecular Properties

Compound Namedicalcium;disulfo carbonate;hydride;zinc
PubChem CID174696696
Molecular FormulaCH6Ca2O9S2Zn2
Molecular Weight437.12 g/mol
Exact Mass433.73
IUPAC Namedicalcium;disulfo carbonate;hydride;zinc
SMILESO=C(OS(=O)(=O)O)OS(=O)(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[Zn].[Zn]
InChIInChI=1S/CH2O9S2.2Ca.2Zn.4H/c2-1(9-11(3,4)5)10-12(6,7)8;;;;;;;;/h(H,3,4,5)(H,6,7,8);;;;;;;;/q;2*+2;;;4*-1
InChIKeyXNEAENFDBUSZMB-UHFFFAOYSA-N
XLogP-1.57
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.12
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dicalcium;disulfo carbonate;hydride;zinc 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

dicalcium;disulfo carbonate;hydride;manganese
CID 175398142
tetralithium;disulfo carbonate;hydride
CID 174843261
disulfo carbonate;bis(λ2-plumbane)
CID 173043440
tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
CID 175369181
sodium;hydride;sulfo 2,2-dimethylpropanoate
CID 174143943
dicalcium;dipotassium;disulfo 2,3-dihydroxybutanedioate;hydride
CID 175079208
sodium;hydride;sulfo acetate
CID 173308098
calcium;barium(2+);hydride;sulfuric acid;zinc
CID 174925769
zinc sulfo carbonate
CID 23463769
potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
CID 174241063
hydroxysilane;sulfo carbamate
CID 174435108
phosphoric acid;sulfo hydrogen carbonate
CID 158348290

Frequently Asked Questions

What is the IUPAC name of dicalcium;disulfo carbonate;hydride;zinc?
The IUPAC name of dicalcium;disulfo carbonate;hydride;zinc (CID 174696696) is dicalcium;disulfo carbonate;hydride;zinc.
What is the SMILES notation for dicalcium;disulfo carbonate;hydride;zinc?
The canonical SMILES for dicalcium;disulfo carbonate;hydride;zinc is O=C(OS(=O)(=O)O)OS(=O)(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[Zn].[Zn].
What is the InChIKey of dicalcium;disulfo carbonate;hydride;zinc?
The InChIKey is XNEAENFDBUSZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O9S2.2Ca.2Zn.4H/c2-1(9-11(3,4)5)10-12(6,7)8;;;;;;;;/h(H,3,4,5)(H,6,7,8);;;;;;;;/q;2*+2;;;4*-1.
What are the key properties of dicalcium;disulfo carbonate;hydride;zinc?
dicalcium;disulfo carbonate;hydride;zinc has a molecular weight of 437.12 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;disulfo carbonate;hydride;zinc is sourced from PubChem (CID 174696696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).