2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)

C13H24O4RhS4+3 — CID 10457749

IUPAC2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
SMILESO=C(O)CSCCCSCCCSCCCSCC(=O)O.[105Rh+3]
InChIInChI=1S/C13H24O4S4.Rh/c14-12(15)10-20-8-2-6-18-4-1-5-19-7-3-9-21-11-13(16)17;/h1-11H2,(H,14,15)(H,16,17);/q;+3/i;1+2
InChIKeyWZJONYLZILBLBC-NLQOEHMXSA-N
MW477.50 g/mol
LogP3.26
Rot. Bonds16

About 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)

2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+) (PubChem CID 10457749) has the molecular formula C13H24O4RhS4+3 and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+).

Molecular Properties

Compound Name2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
PubChem CID10457749
Molecular FormulaC13H24O4RhS4+3
Molecular Weight477.50 g/mol
Exact Mass476.96
IUPAC Name2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
SMILESO=C(O)CSCCCSCCCSCCCSCC(=O)O.[105Rh+3]
InChIInChI=1S/C13H24O4S4.Rh/c14-12(15)10-20-8-2-6-18-4-1-5-19-7-3-9-21-11-13(16)17;/h1-11H2,(H,14,15)(H,16,17);/q;+3/i;1+2
InChIKeyWZJONYLZILBLBC-NLQOEHMXSA-N
XLogP3.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)?
The IUPAC name of 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+) (CID 10457749) is 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+).
What is the SMILES notation for 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)?
The canonical SMILES for 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+) is O=C(O)CSCCCSCCCSCCCSCC(=O)O.[105Rh+3].
What is the InChIKey of 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)?
The InChIKey is WZJONYLZILBLBC-NLQOEHMXSA-N. The full InChI is InChI=1S/C13H24O4S4.Rh/c14-12(15)10-20-8-2-6-18-4-1-5-19-7-3-9-21-11-13(16)17;/h1-11H2,(H,14,15)(H,16,17);/q;+3/i;1+2.
What are the key properties of 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)?
2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+) has a molecular weight of 477.50 g/mol, XLogP of 3.26, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+) is sourced from PubChem (CID 10457749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).