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)

C27H56O16Rf2-4 — CID 177273647

IUPAC3-(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)
SMILES[CH2-]OCC(O)CCCOCC(O)CO.[CH2-]OCC(O)COCC(O)CO.[CH2-]OCC(O)COCCCOCC(O)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C11H22O6.C9H19O5.C7H15O5.2Rf/c1-14-6-10(12)8-16-4-3-5-17-9-11(13)7-15-2;1-13-6-8(11)3-2-4-14-7-9(12)5-10;1-11-3-7(10)5-12-4-6(9)2-8;;/h10-13H,1-9H2;8-12H,1-7H2;6-10H,1-5H2;;/q-2;2*-1;;
InChIKeyDZXMUMLSVDJBLW-UHFFFAOYSA-N
MW1170.73 g/mol
LogP-2.42
Rot. Bonds28

About 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)

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) (PubChem CID 177273647) has the molecular formula C27H56O16Rf2-4 and a molecular weight of 1170.73 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name3-(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)
PubChem CID177273647
Molecular FormulaC27H56O16Rf2-4
Molecular Weight1170.73 g/mol
Exact Mass1170.60
IUPAC Name3-(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)
SMILES[CH2-]OCC(O)CCCOCC(O)CO.[CH2-]OCC(O)COCC(O)CO.[CH2-]OCC(O)COCCCOCC(O)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C11H22O6.C9H19O5.C7H15O5.2Rf/c1-14-6-10(12)8-16-4-3-5-17-9-11(13)7-15-2;1-13-6-8(11)3-2-4-14-7-9(12)5-10;1-11-3-7(10)5-12-4-6(9)2-8;;/h10-13H,1-9H2;8-12H,1-7H2;6-10H,1-5H2;;/q-2;2*-1;;
InChIKeyDZXMUMLSVDJBLW-UHFFFAOYSA-N
XLogP-2.42
TPSA235.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001170.73
LogP ≤ 5-2.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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

1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)
CID 177273970
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
4-methanidyloxybutane-1,3-diol;1-methanidyloxy-4-(4-propoxybutoxy)butan-2-ol;rutherfordium
CID 177262241
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
CID 177262277
bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium
CID 177273640
10-(2,3-dihydroxypropoxy)decane-1,1-diol
CID 87342423
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is [CH2-]OCC(O)CCCOCC(O)CO.[CH2-]OCC(O)COCC(O)CO.[CH2-]OCC(O)COCCCOCC(O)CO[CH2-].[Rf].[Rf].
What is the InChIKey of 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)?
The InChIKey is DZXMUMLSVDJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6.C9H19O5.C7H15O5.2Rf/c1-14-6-10(12)8-16-4-3-5-17-9-11(13)7-15-2;1-13-6-8(11)3-2-4-14-7-9(12)5-10;1-11-3-7(10)5-12-4-6(9)2-8;;/h10-13H,1-9H2;8-12H,1-7H2;6-10H,1-5H2;;/q-2;2*-1;;.
What are the key properties of 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)?
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) has a molecular weight of 1170.73 g/mol, XLogP of -2.42, 28 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 177273647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).