potassium 2-phosphonatooxyprop-2-enoate

C3H2KO6P-2 — CID 139597131

IUPACpotassium 2-phosphonatooxyprop-2-enoate
SMILESC=C(OP(=O)([O-])[O-])C(=O)[O-].[K+]
InChIInChI=1S/C3H5O6P.K/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-3
InChIKeySOSDSEAIODNVPX-UHFFFAOYSA-K
MW204.11 g/mol
LogP-5.90
Rot. Bonds3

About potassium 2-phosphonatooxyprop-2-enoate

potassium 2-phosphonatooxyprop-2-enoate (PubChem CID 139597131) has the molecular formula C3H2KO6P-2 and a molecular weight of 204.11 g/mol. Its IUPAC name is potassium 2-phosphonatooxyprop-2-enoate.

Molecular Properties

Compound Namepotassium 2-phosphonatooxyprop-2-enoate
PubChem CID139597131
Molecular FormulaC3H2KO6P-2
Molecular Weight204.11 g/mol
Exact Mass203.92
IUPAC Namepotassium 2-phosphonatooxyprop-2-enoate
SMILESC=C(OP(=O)([O-])[O-])C(=O)[O-].[K+]
InChIInChI=1S/C3H5O6P.K/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-3
InChIKeySOSDSEAIODNVPX-UHFFFAOYSA-K
XLogP-5.90
TPSA112.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 5-5.90
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

silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
CID 45048925
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
azanium 1-carboxyethenyl hydrogen phosphate
CID 139201164
triazanium;carbamoyl phosphate;hydrogen carbonate
CID 160887362
dicalcium;sodium;carbonate;phosphate
CID 172753689
disodium;phosphono phosphonatoformate
CID 88694524
2-methylidenebutanedioate phosphate
CID 19373893
(2,2,2-trifluoroacetyl) phosphate
CID 57464438
sodium;2,3-dihydroxy-4-oxo-4-phosphonatooxybutanoate;nickel(2+)
CID 175079698

Frequently Asked Questions

What is the IUPAC name of potassium 2-phosphonatooxyprop-2-enoate?
The IUPAC name of potassium 2-phosphonatooxyprop-2-enoate (CID 139597131) is potassium 2-phosphonatooxyprop-2-enoate.
What is the SMILES notation for potassium 2-phosphonatooxyprop-2-enoate?
The canonical SMILES for potassium 2-phosphonatooxyprop-2-enoate is C=C(OP(=O)([O-])[O-])C(=O)[O-].[K+].
What is the InChIKey of potassium 2-phosphonatooxyprop-2-enoate?
The InChIKey is SOSDSEAIODNVPX-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H5O6P.K/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-3.
What are the key properties of potassium 2-phosphonatooxyprop-2-enoate?
potassium 2-phosphonatooxyprop-2-enoate has a molecular weight of 204.11 g/mol, XLogP of -5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-phosphonatooxyprop-2-enoate is sourced from PubChem (CID 139597131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).