phosphoric acid;sulfo hydrogen carbonate

CH5O10PS — CID 158348290

IUPACphosphoric acid;sulfo hydrogen carbonate
SMILESO=C(O)OS(=O)(=O)O.O=P(O)(O)O
InChIInChI=1S/CH2O6S.H3O4P/c2-1(3)7-8(4,5)6;1-5(2,3)4/h(H,2,3)(H,4,5,6);(H3,1,2,3,4)
InChIKeyGRZRXWBYLAUXJW-UHFFFAOYSA-N
MW240.08 g/mol
LogP-1.44
Rot. Bonds1

About phosphoric acid;sulfo hydrogen carbonate

phosphoric acid;sulfo hydrogen carbonate (PubChem CID 158348290) has the molecular formula CH5O10PS and a molecular weight of 240.08 g/mol. Its IUPAC name is phosphoric acid;sulfo hydrogen carbonate.

Molecular Properties

Compound Namephosphoric acid;sulfo hydrogen carbonate
PubChem CID158348290
Molecular FormulaCH5O10PS
Molecular Weight240.08 g/mol
Exact Mass239.93
IUPAC Namephosphoric acid;sulfo hydrogen carbonate
SMILESO=C(O)OS(=O)(=O)O.O=P(O)(O)O
InChIInChI=1S/CH2O6S.H3O4P/c2-1(3)7-8(4,5)6;1-5(2,3)4/h(H,2,3)(H,4,5,6);(H3,1,2,3,4)
InChIKeyGRZRXWBYLAUXJW-UHFFFAOYSA-N
XLogP-1.44
TPSA178.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 5-1.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
CID 175369181
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
azane;phosphoric acid;sulfuric acid
CID 173395945
disulfo carbonate;bis(λ2-plumbane)
CID 173043440
tetralithium;disulfo carbonate;hydride
CID 174843261
hydrogen peroxide;phosphoric acid
CID 18509931
tetralithium;phosphoric acid
CID 175822939
alumane;phosphoric acid;sulfuric acid;zinc
CID 174818578
azane;phosphoric acid;sulfuric acid;urea
CID 173445990
dicarboxy carbonate;phosphoric acid
CID 160573536
azane;sulfo dihydrogen phosphate
CID 173203542
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;sulfo hydrogen carbonate?
The IUPAC name of phosphoric acid;sulfo hydrogen carbonate (CID 158348290) is phosphoric acid;sulfo hydrogen carbonate.
What is the SMILES notation for phosphoric acid;sulfo hydrogen carbonate?
The canonical SMILES for phosphoric acid;sulfo hydrogen carbonate is O=C(O)OS(=O)(=O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;sulfo hydrogen carbonate?
The InChIKey is GRZRXWBYLAUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O6S.H3O4P/c2-1(3)7-8(4,5)6;1-5(2,3)4/h(H,2,3)(H,4,5,6);(H3,1,2,3,4).
What are the key properties of phosphoric acid;sulfo hydrogen carbonate?
phosphoric acid;sulfo hydrogen carbonate has a molecular weight of 240.08 g/mol, XLogP of -1.44, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;sulfo hydrogen carbonate is sourced from PubChem (CID 158348290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).