2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride

C12H29Cl3NO3RhS — CID 172999753

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride
SMILESCCCCSCCCC.NC(CO)(CO)CO.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/C8H18S.C4H11NO3.3ClH.Rh/c1-3-5-7-9-8-6-4-2;5-4(1-6,2-7)3-8;;;;/h3-8H2,1-2H3;6-8H,1-3,5H2;3*1H;/q;;;;;+3/p-3
InChIKeyFUHZSNJSSVGESB-UHFFFAOYSA-K
MW476.70 g/mol
LogP-8.01
Rot. Bonds9

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride

2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride (PubChem CID 172999753) has the molecular formula C12H29Cl3NO3RhS and a molecular weight of 476.70 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride
PubChem CID172999753
Molecular FormulaC12H29Cl3NO3RhS
Molecular Weight476.70 g/mol
Exact Mass475.00
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride
SMILESCCCCSCCCC.NC(CO)(CO)CO.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/C8H18S.C4H11NO3.3ClH.Rh/c1-3-5-7-9-8-6-4-2;5-4(1-6,2-7)3-8;;;;/h3-8H2,1-2H3;6-8H,1-3,5H2;3*1H;/q;;;;;+3/p-3
InChIKeyFUHZSNJSSVGESB-UHFFFAOYSA-K
XLogP-8.01
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.70
LogP ≤ 5-8.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride 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-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-butylsulfanylethanamine;ethane
CID 145193609
2-amino-2-(hydroxymethyl)propane-1,3-diol;butyl-λ2-stannane;azide
CID 173397231
(2R)-2-amino-2-(2-butylsulfanylethyl)-3,3-dimethylbutanoic acid
CID 91364833
CID 87493832
CID 87493832
2-amino-2-(hydroxymethyl)propane-1,3-diol;trihydrochloride
CID 19084655
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
1-amino-5-butylsulfanyl-2-methylpentan-2-ol
CID 64814257

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride (CID 172999753) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride is CCCCSCCCC.NC(CO)(CO)CO.[Cl-].[Cl-].[Cl-].[Rh+3].
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride?
The InChIKey is FUHZSNJSSVGESB-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H18S.C4H11NO3.3ClH.Rh/c1-3-5-7-9-8-6-4-2;5-4(1-6,2-7)3-8;;;;/h3-8H2,1-2H3;6-8H,1-3,5H2;3*1H;/q;;;;;+3/p-3.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride?
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride has a molecular weight of 476.70 g/mol, XLogP of -8.01, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-butylsulfanylbutane;rhodium(3+);trichloride is sourced from PubChem (CID 172999753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).