sodium 2-deuteriopropanoate

C3H5NaO2 — CID 23666812

IUPACsodium 2-deuteriopropanoate
SMILES[2H]C(C)C(=O)[O-].[Na+]
InChIInChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1/i2D;
InChIKeyJXKPEJDQGNYQSM-YPAXDSTQSA-M
MW97.07 g/mol
LogP-3.85
Rot. Bonds1

About sodium 2-deuteriopropanoate

sodium 2-deuteriopropanoate (PubChem CID 23666812) has the molecular formula C3H5NaO2 and a molecular weight of 97.07 g/mol. Its IUPAC name is sodium 2-deuteriopropanoate.

Molecular Properties

Compound Namesodium 2-deuteriopropanoate
PubChem CID23666812
Molecular FormulaC3H5NaO2
Molecular Weight97.07 g/mol
Exact Mass97.03
IUPAC Namesodium 2-deuteriopropanoate
SMILES[2H]C(C)C(=O)[O-].[Na+]
InChIInChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1/i2D;
InChIKeyJXKPEJDQGNYQSM-YPAXDSTQSA-M
XLogP-3.85
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.07
LogP ≤ 5-3.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trisodium;propanoate
CID 86625665
disodium;butanoate;hydroxide
CID 173219323
indium(1+);propanoate
CID 101213769
propanoate;hydrate
CID 19032208
propanoate;tin(4+)
CID 167712674
propanoate;uranium(4+)
CID 51035197
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970
europium(2+);propanoate
CID 88778777
copper(1+);propanoate
CID 22149607
sodium;propanoate;propanoic acid
CID 173429425
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of sodium 2-deuteriopropanoate?
The IUPAC name of sodium 2-deuteriopropanoate (CID 23666812) is sodium 2-deuteriopropanoate.
What is the SMILES notation for sodium 2-deuteriopropanoate?
The canonical SMILES for sodium 2-deuteriopropanoate is [2H]C(C)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-deuteriopropanoate?
The InChIKey is JXKPEJDQGNYQSM-YPAXDSTQSA-M. The full InChI is InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1/i2D;.
What are the key properties of sodium 2-deuteriopropanoate?
sodium 2-deuteriopropanoate has a molecular weight of 97.07 g/mol, XLogP of -3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-deuteriopropanoate is sourced from PubChem (CID 23666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).