barium(2+);2-phosphonooxyprop-2-enoic acid;silver

C3H5AgBaO6P+2 — CID 54606075

IUPACbarium(2+);2-phosphonooxyprop-2-enoic acid;silver
SMILESC=C(OP(=O)(O)O)C(=O)O.[Ag].[Ba+2]
InChIInChI=1S/C3H5O6P.Ag.Ba/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;;+2
InChIKeyPWPKDAUETDWMHX-UHFFFAOYSA-N
MW413.24 g/mol
LogP-0.69
Rot. Bonds3

About barium(2+);2-phosphonooxyprop-2-enoic acid;silver

barium(2+);2-phosphonooxyprop-2-enoic acid;silver (PubChem CID 54606075) has the molecular formula C3H5AgBaO6P+2 and a molecular weight of 413.24 g/mol. Its IUPAC name is barium(2+);2-phosphonooxyprop-2-enoic acid;silver.

Molecular Properties

Compound Namebarium(2+);2-phosphonooxyprop-2-enoic acid;silver
PubChem CID54606075
Molecular FormulaC3H5AgBaO6P+2
Molecular Weight413.24 g/mol
Exact Mass412.79
IUPAC Namebarium(2+);2-phosphonooxyprop-2-enoic acid;silver
SMILESC=C(OP(=O)(O)O)C(=O)O.[Ag].[Ba+2]
InChIInChI=1S/C3H5O6P.Ag.Ba/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;;+2
InChIKeyPWPKDAUETDWMHX-UHFFFAOYSA-N
XLogP-0.69
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

disodium;2-phosphonooxyprop-2-enoate
CID 21118426
azanium 1-carboxyethenyl hydrogen phosphate
CID 139201164
(3-anilino-3-oxoprop-1-en-2-yl) dihydrogen phosphate
CID 13291526
dilithium;hydride;phosphono hydrogen carbonate
CID 174596841
dicalcium;hydride;phosphono hydrogen carbonate
CID 173003816
phosphono 5-hydroxy-2-methylidenehex-5-enoate
CID 87074619
(E)-2-phosphonooxybut-2-enoic acid
CID 59863751
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
sodium;hydride;phosphono 2-methylprop-2-enoate
CID 174967425
bis(barium(2+));hydride;oxalic acid;phosphoric acid
CID 173360168
disodium;phosphono phosphonatoformate
CID 88694524

Frequently Asked Questions

What is the IUPAC name of barium(2+);2-phosphonooxyprop-2-enoic acid;silver?
The IUPAC name of barium(2+);2-phosphonooxyprop-2-enoic acid;silver (CID 54606075) is barium(2+);2-phosphonooxyprop-2-enoic acid;silver.
What is the SMILES notation for barium(2+);2-phosphonooxyprop-2-enoic acid;silver?
The canonical SMILES for barium(2+);2-phosphonooxyprop-2-enoic acid;silver is C=C(OP(=O)(O)O)C(=O)O.[Ag].[Ba+2].
What is the InChIKey of barium(2+);2-phosphonooxyprop-2-enoic acid;silver?
The InChIKey is PWPKDAUETDWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O6P.Ag.Ba/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;;+2.
What are the key properties of barium(2+);2-phosphonooxyprop-2-enoic acid;silver?
barium(2+);2-phosphonooxyprop-2-enoic acid;silver has a molecular weight of 413.24 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);2-phosphonooxyprop-2-enoic acid;silver is sourced from PubChem (CID 54606075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).