disodium;3-phosphopropanoate

C3H4Na2O4P+ — CID 21232047

IUPACdisodium;3-phosphopropanoate
SMILESO=C([O-])CC[P+](=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H5O4P.2Na/c4-3(5)1-2-8(6)7;;/h1-2H2,(H,4,5);;/q;2*+1/p-1
InChIKeyLJORYZYCBBBPJL-UHFFFAOYSA-M
MW181.01 g/mol
LogP-7.76
Rot. Bonds3

About disodium;3-phosphopropanoate

disodium;3-phosphopropanoate (PubChem CID 21232047) has the molecular formula C3H4Na2O4P+ and a molecular weight of 181.01 g/mol. Its IUPAC name is disodium;3-phosphopropanoate.

Molecular Properties

Compound Namedisodium;3-phosphopropanoate
PubChem CID21232047
Molecular FormulaC3H4Na2O4P+
Molecular Weight181.01 g/mol
Exact Mass180.96
IUPAC Namedisodium;3-phosphopropanoate
SMILESO=C([O-])CC[P+](=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H5O4P.2Na/c4-3(5)1-2-8(6)7;;/h1-2H2,(H,4,5);;/q;2*+1/p-1
InChIKeyLJORYZYCBBBPJL-UHFFFAOYSA-M
XLogP-7.76
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.01
LogP ≤ 5-7.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 160588999
sodium oxido-oxo-(5-oxohexyl)phosphanium
CID 23707633
bis(butanedioate);osmium(4+)
CID 159559487
disodium;pentanedioate;hydrochloride
CID 175525255
disodium;undecanedioate
CID 15107599
10-carboxydecyl-oxido-oxophosphanium
CID 102297896
copper;zinc;bis(butanedioate)
CID 159835693
azanium;lithium;butanedioate
CID 18352245
disodium;acetic acid;butanedioate
CID 173373024
disodium;butanedioate;ethanol
CID 86659235
trisodium;butanedioate;dihydrogen phosphate
CID 160603820
disodium;butanoate;hydroxide
CID 173219323

Frequently Asked Questions

What is the IUPAC name of disodium;3-phosphopropanoate?
The IUPAC name of disodium;3-phosphopropanoate (CID 21232047) is disodium;3-phosphopropanoate.
What is the SMILES notation for disodium;3-phosphopropanoate?
The canonical SMILES for disodium;3-phosphopropanoate is O=C([O-])CC[P+](=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;3-phosphopropanoate?
The InChIKey is LJORYZYCBBBPJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5O4P.2Na/c4-3(5)1-2-8(6)7;;/h1-2H2,(H,4,5);;/q;2*+1/p-1.
What are the key properties of disodium;3-phosphopropanoate?
disodium;3-phosphopropanoate has a molecular weight of 181.01 g/mol, XLogP of -7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-phosphopropanoate is sourced from PubChem (CID 21232047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).