bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)

C30H60N2O18Rf3-6 — CID 172515697

About bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)

bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium) (PubChem CID 172515697) has the molecular formula C30H60N2O18Rf3-6 and a molecular weight of 1537.81 g/mol. Its IUPAC name is bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium).

Molecular Properties

• Compound Name: bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)
• PubChem CID: 172515697
• Molecular Formula: C30H60N2O18Rf3-6
• Molecular Weight: 1537.81 g/mol
• Exact Mass: 1537.75
• IUPAC Name: bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)
• SMILES: [CH2-]OCC(O)COCC(O)COCCC(N)=O.[CH2-]OCC(O)COCC(O)COCCC(N)=O.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf]
• InChI: InChI=1S/2C10H20NO6.2C5H10O3.3Rf/c2*1-15-4-8(12)6-17-7-9(13)5-16-3-2-10(11)14;2*1-7-3-5(6)4-8-2;;;/h2*8-9,12-13H,1-7H2,(H2,11,14);2*5-6H,1-4H2;;;/q2*-1;2*-2
• InChIKey: NNXDWRTWSZNCLB-UHFFFAOYSA-N
• XLogP: -3.22
• TPSA: 299.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.81
LogP ≤ 5	-3.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)?

The IUPAC name of bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium) (CID 172515697) is bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium).

What is the SMILES notation for bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)?

The canonical SMILES for bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium) is [CH2-]OCC(O)COCC(O)COCCC(N)=O.[CH2-]OCC(O)COCC(O)COCCC(N)=O.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].

What is the InChIKey of bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)?

The InChIKey is NNXDWRTWSZNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20NO6.2C5H10O3.3Rf/c2*1-15-4-8(12)6-17-7-9(13)5-16-3-2-10(11)14;2*1-7-3-5(6)4-8-2;;;/h2*8-9,12-13H,1-7H2,(H2,11,14);2*5-6H,1-4H2;;;/q2*-1;2*-2;;;.

What are the key properties of bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)?

bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium) has a molecular weight of 1537.81 g/mol, XLogP of -3.22, 30 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium) is sourced from PubChem (CID 172515697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).