dicalcium;disulfo carbonate;hydride;manganese

CH6Ca2Mn2O9S2 — CID 175398142

IUPACdicalcium;disulfo carbonate;hydride;manganese
SMILESO=C(OS(=O)(=O)O)OS(=O)(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[Mn].[Mn]
InChIInChI=1S/CH2O9S2.2Ca.2Mn.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
InChIKeyYEFPURITVLXADR-UHFFFAOYSA-N
MW416.22 g/mol
LogP-1.57
Rot. Bonds2

About dicalcium;disulfo carbonate;hydride;manganese

dicalcium;disulfo carbonate;hydride;manganese (PubChem CID 175398142) has the molecular formula CH6Ca2Mn2O9S2 and a molecular weight of 416.22 g/mol. Its IUPAC name is dicalcium;disulfo carbonate;hydride;manganese.

Molecular Properties

Compound Namedicalcium;disulfo carbonate;hydride;manganese
PubChem CID175398142
Molecular FormulaCH6Ca2Mn2O9S2
Molecular Weight416.22 g/mol
Exact Mass415.75
IUPAC Namedicalcium;disulfo carbonate;hydride;manganese
SMILESO=C(OS(=O)(=O)O)OS(=O)(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[Mn].[Mn]
InChIInChI=1S/CH2O9S2.2Ca.2Mn.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
InChIKeyYEFPURITVLXADR-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 ≤ 500416.22
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;disulfo carbonate;hydride;zinc
CID 174696696
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;alumane;hydride;manganese;sulfuric acid
CID 173203697
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;manganese?
The IUPAC name of dicalcium;disulfo carbonate;hydride;manganese (CID 175398142) is dicalcium;disulfo carbonate;hydride;manganese.
What is the SMILES notation for dicalcium;disulfo carbonate;hydride;manganese?
The canonical SMILES for dicalcium;disulfo carbonate;hydride;manganese is O=C(OS(=O)(=O)O)OS(=O)(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[Mn].[Mn].
What is the InChIKey of dicalcium;disulfo carbonate;hydride;manganese?
The InChIKey is YEFPURITVLXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O9S2.2Ca.2Mn.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;manganese?
dicalcium;disulfo carbonate;hydride;manganese has a molecular weight of 416.22 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;manganese is sourced from PubChem (CID 175398142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).