disodium;2-phosphonooxyprop-2-enoate

C3H4Na2O6P+ — CID 21118426

IUPACdisodium;2-phosphonooxyprop-2-enoate
SMILESC=C(OP(=O)(O)O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H5O6P.2Na/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;2*+1/p-1
InChIKeyUKHQGAMUTNVPAU-UHFFFAOYSA-M
MW213.01 g/mol
LogP-7.63
Rot. Bonds3

About disodium;2-phosphonooxyprop-2-enoate

disodium;2-phosphonooxyprop-2-enoate (PubChem CID 21118426) has the molecular formula C3H4Na2O6P+ and a molecular weight of 213.01 g/mol. Its IUPAC name is disodium;2-phosphonooxyprop-2-enoate.

Molecular Properties

Compound Namedisodium;2-phosphonooxyprop-2-enoate
PubChem CID21118426
Molecular FormulaC3H4Na2O6P+
Molecular Weight213.01 g/mol
Exact Mass212.95
IUPAC Namedisodium;2-phosphonooxyprop-2-enoate
SMILESC=C(OP(=O)(O)O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H5O6P.2Na/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;2*+1/p-1
InChIKeyUKHQGAMUTNVPAU-UHFFFAOYSA-M
XLogP-7.63
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 5-7.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze disodium;2-phosphonooxyprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-phosphonatooxyprop-2-enoate
CID 139597131
silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
CID 45048925
barium(2+);2-phosphonooxyprop-2-enoic acid;silver
CID 54606075
potassium;sodium;phosphono dihydrogen phosphate;carbonate
CID 159482334
potassium;sodium;hydride;phosphono hydrogen carbonate
CID 174050740
sodium;hydride;phosphono 2-methylprop-2-enoate
CID 174967425
disodium;phosphono phosphonatoformate
CID 88694524
azanium 1-carboxyethenyl hydrogen phosphate
CID 139201164
sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
trisodium;hydride;phosphono hydrogen carbonate;dodecahydrate
CID 175560096
sodium;hydride;phosphono carbamate
CID 173413043
lithium;potassium;phosphono acetate
CID 71300541

Frequently Asked Questions

What is the IUPAC name of disodium;2-phosphonooxyprop-2-enoate?
The IUPAC name of disodium;2-phosphonooxyprop-2-enoate (CID 21118426) is disodium;2-phosphonooxyprop-2-enoate.
What is the SMILES notation for disodium;2-phosphonooxyprop-2-enoate?
The canonical SMILES for disodium;2-phosphonooxyprop-2-enoate is C=C(OP(=O)(O)O)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-phosphonooxyprop-2-enoate?
The InChIKey is UKHQGAMUTNVPAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5O6P.2Na/c1-2(3(4)5)9-10(6,7)8;;/h1H2,(H,4,5)(H2,6,7,8);;/q;2*+1/p-1.
What are the key properties of disodium;2-phosphonooxyprop-2-enoate?
disodium;2-phosphonooxyprop-2-enoate has a molecular weight of 213.01 g/mol, XLogP of -7.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-phosphonooxyprop-2-enoate is sourced from PubChem (CID 21118426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).