silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate

C3H4AgBaO7P — CID 45048925

IUPACsilver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
SMILESC=C(OP(=O)([O-])[O-])C(=O)[O-].O.[Ag+].[Ba+2]
InChIInChI=1S/C3H5O6P.Ag.Ba.H2O/c1-2(3(4)5)9-10(6,7)8;;;/h1H2,(H,4,5)(H2,6,7,8);;;1H2/q;+1;+2;/p-3
InChIKeyVPJKTRYDNKHJGL-UHFFFAOYSA-K
MW428.23 g/mol
LogP-4.11
Rot. Bonds3

About silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate

silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate (PubChem CID 45048925) has the molecular formula C3H4AgBaO7P and a molecular weight of 428.23 g/mol. Its IUPAC name is silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate.

Molecular Properties

Compound Namesilver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
PubChem CID45048925
Molecular FormulaC3H4AgBaO7P
Molecular Weight428.23 g/mol
Exact Mass427.78
IUPAC Namesilver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
SMILESC=C(OP(=O)([O-])[O-])C(=O)[O-].O.[Ag+].[Ba+2]
InChIInChI=1S/C3H5O6P.Ag.Ba.H2O/c1-2(3(4)5)9-10(6,7)8;;;/h1H2,(H,4,5)(H2,6,7,8);;;1H2/q;+1;+2;/p-3
InChIKeyVPJKTRYDNKHJGL-UHFFFAOYSA-K
XLogP-4.11
TPSA144.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 5-4.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

potassium 2-phosphonatooxyprop-2-enoate
CID 139597131
disodium;2-phosphonooxyprop-2-enoate
CID 21118426
sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane
CID 21146371
pentapotassium;carbonate;phosphate
CID 173178340
dipotassium;(2-aminoacetyl) phosphate
CID 22483641
barium(2+);2-phosphonooxyprop-2-enoic acid;silver
CID 54606075
azanium 1-carboxyethenyl hydrogen phosphate
CID 139201164
triazanium;carbamoyl phosphate;hydrogen carbonate
CID 160887362
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
potassium;sodium;carbonate;hexahydrate
CID 18988965
dicalcium;sodium;carbonate;phosphate
CID 172753689
disodium;phosphono phosphonatoformate
CID 88694524

Frequently Asked Questions

What is the IUPAC name of silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate?
The IUPAC name of silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate (CID 45048925) is silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate.
What is the SMILES notation for silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate?
The canonical SMILES for silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate is C=C(OP(=O)([O-])[O-])C(=O)[O-].O.[Ag+].[Ba+2].
What is the InChIKey of silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate?
The InChIKey is VPJKTRYDNKHJGL-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H5O6P.Ag.Ba.H2O/c1-2(3(4)5)9-10(6,7)8;;;/h1H2,(H,4,5)(H2,6,7,8);;;1H2/q;+1;+2;/p-3.
What are the key properties of silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate?
silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate has a molecular weight of 428.23 g/mol, XLogP of -4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate is sourced from PubChem (CID 45048925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).