1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)

C30H60O18Rf3-6 — CID 177274067

IUPAC1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)
SMILES[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)COC1CC(OCC(O)CO[CH2-])CC(OCC(O)CO[CH2-])C1.[Rf].[Rf].[Rf]
InChIInChI=1S/C18H33O9.3C4H9O3.3Rf/c1-22-7-13(19)10-25-16-4-17(26-11-14(20)8-23-2)6-18(5-16)27-12-15(21)9-24-3;3*1-7-3-4(6)2-5;;;/h13-21H,1-12H2;3*4-6H,1-3H2;;;/q-3;3*-1;;;
InChIKeyPYQYGLNWKQWLPO-UHFFFAOYSA-N
MW1509.79 g/mol
LogP-2.72
Rot. Bonds24

About 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)

1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium) (PubChem CID 177274067) has the molecular formula C30H60O18Rf3-6 and a molecular weight of 1509.79 g/mol. Its IUPAC name is 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium).

Molecular Properties

Compound Name1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)
PubChem CID177274067
Molecular FormulaC30H60O18Rf3-6
Molecular Weight1509.79 g/mol
Exact Mass1509.75
IUPAC Name1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)
SMILES[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)COC1CC(OCC(O)CO[CH2-])CC(OCC(O)CO[CH2-])C1.[Rf].[Rf].[Rf]
InChIInChI=1S/C18H33O9.3C4H9O3.3Rf/c1-22-7-13(19)10-25-16-4-17(26-11-14(20)8-23-2)6-18(5-16)27-12-15(21)9-24-3;3*1-7-3-4(6)2-5;;;/h13-21H,1-12H2;3*4-6H,1-3H2;;;/q-3;3*-1;;;
InChIKeyPYQYGLNWKQWLPO-UHFFFAOYSA-N
XLogP-2.72
TPSA265.14 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.79
LogP ≤ 5-2.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(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

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
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
3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)
CID 177273999
3-(4-hydroxycyclohexyl)oxypropane-1,2-diol
CID 21393261
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
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropane-1,2-diol
CID 142047447
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol
CID 57142467
ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)?
The IUPAC name of 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium) (CID 177274067) is 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium).
What is the SMILES notation for 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)?
The canonical SMILES for 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium) is [CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)COC1CC(OCC(O)CO[CH2-])CC(OCC(O)CO[CH2-])C1.[Rf].[Rf].[Rf].
What is the InChIKey of 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)?
The InChIKey is PYQYGLNWKQWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O9.3C4H9O3.3Rf/c1-22-7-13(19)10-25-16-4-17(26-11-14(20)8-23-2)6-18(5-16)27-12-15(21)9-24-3;3*1-7-3-4(6)2-5;;;/h13-21H,1-12H2;3*4-6H,1-3H2;;;/q-3;3*-1;;;.
What are the key properties of 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)?
1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium) has a molecular weight of 1509.79 g/mol, XLogP of -2.72, 24 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium) is sourced from PubChem (CID 177274067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).