1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)

C19H38N2O11Rf6-4 — CID 172515714

IUPAC1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)
SMILES[CH2-]OCC(O)COCCC(N)=O.[CH2-]OCC(O)COCCC(N)=O.[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/2C7H14NO4.C5H10O3.6Rf/c2*1-11-4-6(9)5-12-3-2-7(8)10;1-7-3-5(6)4-8-2;;;;;;/h2*6,9H,1-5H2,(H2,8,10);5-6H,1-4H2;;;;;;/q2*-1;-2;;;;;;
InChIKeyPBUHZCLFMJTGEF-UHFFFAOYSA-N
MW2072.52 g/mol
LogP-1.94
Rot. Bonds18

About 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)

1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium) (PubChem CID 172515714) has the molecular formula C19H38N2O11Rf6-4 and a molecular weight of 2072.52 g/mol. Its IUPAC name is 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium).

Molecular Properties

Compound Name1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)
PubChem CID172515714
Molecular FormulaC19H38N2O11Rf6-4
Molecular Weight2072.52 g/mol
Exact Mass2072.98
IUPAC Name1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)
SMILES[CH2-]OCC(O)COCCC(N)=O.[CH2-]OCC(O)COCCC(N)=O.[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/2C7H14NO4.C5H10O3.6Rf/c2*1-11-4-6(9)5-12-3-2-7(8)10;1-7-3-5(6)4-8-2;;;;;;/h2*6,9H,1-5H2,(H2,8,10);5-6H,1-4H2;;;;;;/q2*-1;-2;;;;;;
InChIKeyPBUHZCLFMJTGEF-UHFFFAOYSA-N
XLogP-1.94
TPSA202.25 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002072.52
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)
CID 172515697
3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689
3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide
CID 123809562
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide
CID 160829035
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
5-hydroxy-6-(2-hydroxyethoxy)hexanamide
CID 175269761
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
3-(4-hydroxy-5-methanidyloxypentoxy)propane-1,2-diol;3-(2-hydroxy-3-methanidyloxypropoxy)propane-1,2-diol;1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;bis(rutherfordium)
CID 177273647
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
3-hydroxy-4-propoxybutanamide
CID 169324241

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)?
The IUPAC name of 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium) (CID 172515714) is 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium).
What is the SMILES notation for 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)?
The canonical SMILES for 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium) is [CH2-]OCC(O)COCCC(N)=O.[CH2-]OCC(O)COCCC(N)=O.[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)?
The InChIKey is PBUHZCLFMJTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14NO4.C5H10O3.6Rf/c2*1-11-4-6(9)5-12-3-2-7(8)10;1-7-3-5(6)4-8-2;;;;;;/h2*6,9H,1-5H2,(H2,8,10);5-6H,1-4H2;;;;;;/q2*-1;-2;;;;;;.
What are the key properties of 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)?
1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium) has a molecular weight of 2072.52 g/mol, XLogP of -1.94, 18 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium) is sourced from PubChem (CID 172515714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).