tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid

CH10Ca3O10S2 — CID 175369181

IUPACtricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
SMILESO=C(O)OS(=O)(=O)O.O=S(=O)(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/CH2O6S.3Ca.H2O4S.6H/c2-1(3)7-8(4,5)6;;;;1-5(2,3)4;;;;;;/h(H,2,3)(H,4,5,6);;;;(H2,1,2,3,4);;;;;;/q;3*+2;;6*-1
InChIKeyJVMKFGQJAIFTNQ-UHFFFAOYSA-N
MW366.45 g/mol
LogP-1.64
Rot. Bonds1

About tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid

tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid (PubChem CID 175369181) has the molecular formula CH10Ca3O10S2 and a molecular weight of 366.45 g/mol. Its IUPAC name is tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid.

Molecular Properties

Compound Nametricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
PubChem CID175369181
Molecular FormulaCH10Ca3O10S2
Molecular Weight366.45 g/mol
Exact Mass365.86
IUPAC Nametricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
SMILESO=C(O)OS(=O)(=O)O.O=S(=O)(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/CH2O6S.3Ca.H2O4S.6H/c2-1(3)7-8(4,5)6;;;;1-5(2,3)4;;;;;;/h(H,2,3)(H,4,5,6);;;;(H2,1,2,3,4);;;;;;/q;3*+2;;6*-1
InChIKeyJVMKFGQJAIFTNQ-UHFFFAOYSA-N
XLogP-1.64
TPSA175.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid?
The IUPAC name of tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid (CID 175369181) is tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid.
What is the SMILES notation for tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid?
The canonical SMILES for tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid is O=C(O)OS(=O)(=O)O.O=S(=O)(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid?
The InChIKey is JVMKFGQJAIFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O6S.3Ca.H2O4S.6H/c2-1(3)7-8(4,5)6;;;;1-5(2,3)4;;;;;;/h(H,2,3)(H,4,5,6);;;;(H2,1,2,3,4);;;;;;/q;3*+2;;6*-1.
What are the key properties of tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid?
tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid has a molecular weight of 366.45 g/mol, XLogP of -1.64, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid is sourced from PubChem (CID 175369181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).