1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)

C39H78O24Rf6-6 — CID 177274075

About 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)

1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium) (PubChem CID 177274075) has the molecular formula C39H78O24Rf6-6 and a molecular weight of 2533.03 g/mol. Its IUPAC name is 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium).

Molecular Properties

• Compound Name: 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)
• PubChem CID: 177274075
• Molecular Formula: C39H78O24Rf6-6
• Molecular Weight: 2533.03 g/mol
• Exact Mass: 2533.22
• IUPAC Name: 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)
• SMILES: [CH2-]OCC(O)C(O)COC1CC(OCC(O)C(O)CO[CH2-])CC(OCC(O)C(O)CO[CH2-])C1.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf]
• InChI: InChI=1S/C21H39O12.3C6H13O4.6Rf/c1-28-7-16(22)19(25)10-31-13-4-14(32-11-20(26)17(23)8-29-2)6-15(5-13)33-12-21(27)18(24)9-30-3;3*1-9-4-6(8)5-10-3-2-7;;;;;;/h13-27H,1-12H2;3*6-8H,1-5H2;;;;;;/q-3;3*-1
• InChIKey: REPQNRGOLHYOCC-UHFFFAOYSA-N
• XLogP: -4.59
• TPSA: 353.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.03
LogP ≤ 5	-4.59
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

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 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)?

The IUPAC name of 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium) (CID 177274075) is 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium).

What is the SMILES notation for 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)?

The canonical SMILES for 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium) is [CH2-]OCC(O)C(O)COC1CC(OCC(O)C(O)CO[CH2-])CC(OCC(O)C(O)CO[CH2-])C1.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].

What is the InChIKey of 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)?

The InChIKey is REPQNRGOLHYOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39O12.3C6H13O4.6Rf/c1-28-7-16(22)19(25)10-31-13-4-14(32-11-20(26)17(23)8-29-2)6-15(5-13)33-12-21(27)18(24)9-30-3;3*1-9-4-6(8)5-10-3-2-7;;;;;;/h13-27H,1-12H2;3*6-8H,1-5H2;;;;;;/q-3;3*-1;;;;;;.

What are the key properties of 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)?

1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium) has a molecular weight of 2533.03 g/mol, XLogP of -4.59, 36 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium) is sourced from PubChem (CID 177274075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).