2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)

C25H52O14Rf2-4 — CID 177273970

IUPAC2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)
SMILES[CH2-]OCC(CO)(CO)CO[CH2-].[CH2-]OCC(O)COCC(O)CCCO.[CH2-]OCC(O)COCC(O)CCCO.[Rf].[Rf]
InChIInChI=1S/2C9H19O5.C7H14O4.2Rf/c2*1-13-5-9(12)7-14-6-8(11)3-2-4-10;1-10-5-7(3-8,4-9)6-11-2;;/h2*8-12H,1-7H2;8-9H,1-6H2;;/q2*-1;-2;;
InChIKeyIMTQWSLNTDONJL-UHFFFAOYSA-N
MW1110.68 g/mol
LogP-1.82
Rot. Bonds24

About 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)

2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium) (PubChem CID 177273970) has the molecular formula C25H52O14Rf2-4 and a molecular weight of 1110.68 g/mol. Its IUPAC name is 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium).

Molecular Properties

Compound Name2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)
PubChem CID177273970
Molecular FormulaC25H52O14Rf2-4
Molecular Weight1110.68 g/mol
Exact Mass1110.58
IUPAC Name2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)
SMILES[CH2-]OCC(CO)(CO)CO[CH2-].[CH2-]OCC(O)COCC(O)CCCO.[CH2-]OCC(O)COCC(O)CCCO.[Rf].[Rf]
InChIInChI=1S/2C9H19O5.C7H14O4.2Rf/c2*1-13-5-9(12)7-14-6-8(11)3-2-4-10;1-10-5-7(3-8,4-9)6-11-2;;/h2*8-12H,1-7H2;8-9H,1-6H2;;/q2*-1;-2;;
InChIKeyIMTQWSLNTDONJL-UHFFFAOYSA-N
XLogP-1.82
TPSA217.22 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.68
LogP ≤ 5-1.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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(3,3-bis(methanidyloxymethyl)pentane-1,5-diol);bis(4-methanidyloxybutane-1,3-diol);hexakis(rutherfordium)
CID 177274020
2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)
CID 177273963
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
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
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-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
CID 177273638
1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
CID 177274071
1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)
CID 177262254
bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)
CID 172515697

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)?
The IUPAC name of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium) (CID 177273970) is 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium).
What is the SMILES notation for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)?
The canonical SMILES for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium) is [CH2-]OCC(CO)(CO)CO[CH2-].[CH2-]OCC(O)COCC(O)CCCO.[CH2-]OCC(O)COCC(O)CCCO.[Rf].[Rf].
What is the InChIKey of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)?
The InChIKey is IMTQWSLNTDONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19O5.C7H14O4.2Rf/c2*1-13-5-9(12)7-14-6-8(11)3-2-4-10;1-10-5-7(3-8,4-9)6-11-2;;/h2*8-12H,1-7H2;8-9H,1-6H2;;/q2*-1;-2;;.
What are the key properties of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)?
2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium) has a molecular weight of 1110.68 g/mol, XLogP of -1.82, 24 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium) is sourced from PubChem (CID 177273970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).