2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate

C32H57ClNO19Pd- — CID 157229576

About 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate (PubChem CID 157229576) has the molecular formula C32H57ClNO19Pd- and a molecular weight of 901.67 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate.

Molecular Properties

• Compound Name: 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate
• PubChem CID: 157229576
• Molecular Formula: C32H57ClNO19Pd-
• Molecular Weight: 901.67 g/mol
• Exact Mass: 900.23
• IUPAC Name: 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate
• SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCCCl.NCCOCCOCCOC1OC(CO)C(O)C(O)C1O.[CH3-].[Pd]
• InChI: InChI=1S/C16H22O11.C12H25NO8.C3H7Cl.CH3.Pd/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;13-1-2-18-3-4-19-5-6-20-12-11(17)10(16)9(15)8(7-14)21-12;1-2-3-4;;/h12-16H,6H2,1-5H3;8-12,14-17H,1-7,13H2;2-3H2,1H3;1H3;/q;;;-1
• InChIKey: TUUXSOPACIKBML-UHFFFAOYSA-N
• XLogP: -1.49
• TPSA: 284.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.67
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate?

The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate (CID 157229576) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate.

What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate?

The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate is CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCCCl.NCCOCCOCCOC1OC(CO)C(O)C(O)C1O.[CH3-].[Pd].

What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate?

The InChIKey is TUUXSOPACIKBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O11.C12H25NO8.C3H7Cl.CH3.Pd/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21;13-1-2-18-3-4-19-5-6-20-12-11(17)10(16)9(15)8(7-14)21-12;1-2-3-4;;/h12-16H,6H2,1-5H3;8-12,14-17H,1-7,13H2;2-3H2,1H3;1H3;/q;;;-1;.

What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate?

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate has a molecular weight of 901.67 g/mol, XLogP of -1.49, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;carbanide;1-chloropropane;palladium;(3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetate is sourced from PubChem (CID 157229576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).