sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride

C10H19NNaO6PS — CID 173428729

IUPACsodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride
SMILESCCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C10H18NO6PS.Na.H/c1-3-17-10(13)8-5-19-6-11(8)9(12)7(2)4-18(14,15)16;;/h7-8H,3-6H2,1-2H3,(H2,14,15,16);;/q;+1;-1
InChIKeyBJEPEUXQWJKXNQ-UHFFFAOYSA-N
MW335.29 g/mol
LogP-2.62
Rot. Bonds5

About sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride

sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride (PubChem CID 173428729) has the molecular formula C10H19NNaO6PS and a molecular weight of 335.29 g/mol. Its IUPAC name is sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride.

Molecular Properties

Compound Namesodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride
PubChem CID173428729
Molecular FormulaC10H19NNaO6PS
Molecular Weight335.29 g/mol
Exact Mass335.06
IUPAC Namesodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride
SMILESCCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C10H18NO6PS.Na.H/c1-3-17-10(13)8-5-19-6-11(8)9(12)7(2)4-18(14,15)16;;/h7-8H,3-6H2,1-2H3,(H2,14,15,16);;/q;+1;-1
InChIKeyBJEPEUXQWJKXNQ-UHFFFAOYSA-N
XLogP-2.62
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 5-2.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride?
The IUPAC name of sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride (CID 173428729) is sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride.
What is the SMILES notation for sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride?
The canonical SMILES for sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride is CCOC(=O)C1CSCN1C(=O)C(C)CP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride?
The InChIKey is BJEPEUXQWJKXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO6PS.Na.H/c1-3-17-10(13)8-5-19-6-11(8)9(12)7(2)4-18(14,15)16;;/h7-8H,3-6H2,1-2H3,(H2,14,15,16);;/q;+1;-1.
What are the key properties of sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride?
sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride has a molecular weight of 335.29 g/mol, XLogP of -2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[3-(4-ethoxycarbonyl-1,3-thiazolidin-3-yl)-2-methyl-3-oxopropyl]phosphonic acid;hydride is sourced from PubChem (CID 173428729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).