cesium phosphono hydrogen phosphate

H3CsO7P2 — CID 160778064

IUPACcesium phosphono hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)(O)O.[Cs+]
InChIInChI=1S/Cs.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1
InChIKeySAFDPHZDJOCYMS-UHFFFAOYSA-M
MW309.87 g/mol
LogP-4.44
Rot. Bonds2

About cesium phosphono hydrogen phosphate

cesium phosphono hydrogen phosphate (PubChem CID 160778064) has the molecular formula H3CsO7P2 and a molecular weight of 309.87 g/mol. Its IUPAC name is cesium phosphono hydrogen phosphate.

Molecular Properties

Compound Namecesium phosphono hydrogen phosphate
PubChem CID160778064
Molecular FormulaH3CsO7P2
Molecular Weight309.87 g/mol
Exact Mass309.84
IUPAC Namecesium phosphono hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)(O)O.[Cs+]
InChIInChI=1S/Cs.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1
InChIKeySAFDPHZDJOCYMS-UHFFFAOYSA-M
XLogP-4.44
TPSA127.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 5-4.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper;phosphono hydrogen phosphate;chloride
CID 175231033
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
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potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
CID 174949441
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
potassium;sodium;phosphono hydrogen phosphate;acetate
CID 141113302
phosphono phosphate
CID 57345951
potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide
CID 172800352
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
manganese(2+);phosphono phosphate
CID 138395841
trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
disodium;ethane;phosphono phosphate
CID 19985246

Frequently Asked Questions

What is the IUPAC name of cesium phosphono hydrogen phosphate?
The IUPAC name of cesium phosphono hydrogen phosphate (CID 160778064) is cesium phosphono hydrogen phosphate.
What is the SMILES notation for cesium phosphono hydrogen phosphate?
The canonical SMILES for cesium phosphono hydrogen phosphate is O=P([O-])(O)OP(=O)(O)O.[Cs+].
What is the InChIKey of cesium phosphono hydrogen phosphate?
The InChIKey is SAFDPHZDJOCYMS-UHFFFAOYSA-M. The full InChI is InChI=1S/Cs.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1.
What are the key properties of cesium phosphono hydrogen phosphate?
cesium phosphono hydrogen phosphate has a molecular weight of 309.87 g/mol, XLogP of -4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium phosphono hydrogen phosphate is sourced from PubChem (CID 160778064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).