2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)

C29H58N2O16Rf2-4 — CID 177273963

IUPAC2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)
SMILES[CH2-]OCC(CO)(CO)CO[CH2-].[CH2-]OCC(O)COCC(O)COCCNC(C)=O.[CH2-]OCC(O)COCC(O)COCCNC(C)=O.[Rf].[Rf]
InChIInChI=1S/2C11H22NO6.C7H14O4.2Rf/c2*1-9(13)12-3-4-17-6-11(15)8-18-7-10(14)5-16-2;1-10-5-7(3-8,4-9)6-11-2;;/h2*10-11,14-15H,2-8H2,1H3,(H,12,13);8-9H,1-6H2;;/q2*-1;-2;;
InChIKeyLVQRSTLYLAOYSA-UHFFFAOYSA-N
MW1224.78 g/mol
LogP-3.05
Rot. Bonds28

About 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)

2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium) (PubChem CID 177273963) has the molecular formula C29H58N2O16Rf2-4 and a molecular weight of 1224.78 g/mol. Its IUPAC name is 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium).

Molecular Properties

Compound Name2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)
PubChem CID177273963
Molecular FormulaC29H58N2O16Rf2-4
Molecular Weight1224.78 g/mol
Exact Mass1224.62
IUPAC Name2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)
SMILES[CH2-]OCC(CO)(CO)CO[CH2-].[CH2-]OCC(O)COCC(O)COCCNC(C)=O.[CH2-]OCC(O)COCC(O)COCCNC(C)=O.[Rf].[Rf]
InChIInChI=1S/2C11H22NO6.C7H14O4.2Rf/c2*1-9(13)12-3-4-17-6-11(15)8-18-7-10(14)5-16-2;1-10-5-7(3-8,4-9)6-11-2;;/h2*10-11,14-15H,2-8H2,1H3,(H,12,13);8-9H,1-6H2;;/q2*-1;-2;;
InChIKeyLVQRSTLYLAOYSA-UHFFFAOYSA-N
XLogP-3.05
TPSA253.42 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001224.78
LogP ≤ 5-3.05
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'}

Analyze 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)
CID 177273970
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
N-[3-(2-hydroxy-3-methoxypropoxy)propyl]acetamide
CID 146474260
bis(1,3-dimethanidyloxypropan-2-ol);bis(3-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]propanamide);tris(rutherfordium)
CID 172515697
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
1,3-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)
CID 172515714
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
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
bis(3,3-bis(methanidyloxymethyl)pentane-1,5-diol);bis(4-methanidyloxybutane-1,3-diol);hexakis(rutherfordium)
CID 177274020
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
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-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
CID 177262277

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)?
The IUPAC name of 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) is 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium).
What is the SMILES notation for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)?
The canonical SMILES for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium) is [CH2-]OCC(CO)(CO)CO[CH2-].[CH2-]OCC(O)COCC(O)COCCNC(C)=O.[CH2-]OCC(O)COCC(O)COCCNC(C)=O.[Rf].[Rf].
What is the InChIKey of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)?
The InChIKey is LVQRSTLYLAOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22NO6.C7H14O4.2Rf/c2*1-9(13)12-3-4-17-6-11(15)8-18-7-10(14)5-16-2;1-10-5-7(3-8,4-9)6-11-2;;/h2*10-11,14-15H,2-8H2,1H3,(H,12,13);8-9H,1-6H2;;/q2*-1;-2;;.
What are the key properties of 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium)?
2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium) has a molecular weight of 1224.78 g/mol, XLogP of -3.05, 28 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(N-[2-[2-hydroxy-3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]ethyl]acetamide);bis(rutherfordium) is sourced from PubChem (CID 177273963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).