antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)

C30H57O9S3Sb — CID 173393888

IUPACantimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
SMILESCCCCC(CC)CSC(O)C(=O)[O-].CCCCC(CC)CSC(O)C(=O)[O-].CCCCC(CC)CSC(O)C(=O)[O-].[Sb+3]
InChIInChI=1S/3C10H20O3S.Sb/c3*1-3-5-6-8(4-2)7-14-10(13)9(11)12;/h3*8,10,13H,3-7H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKeySPTUOYFPVUPGER-UHFFFAOYSA-K
MW779.74 g/mol
LogP2.63
Rot. Bonds24

About antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)

antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate) (PubChem CID 173393888) has the molecular formula C30H57O9S3Sb and a molecular weight of 779.74 g/mol. Its IUPAC name is antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate).

Molecular Properties

Compound Nameantimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
PubChem CID173393888
Molecular FormulaC30H57O9S3Sb
Molecular Weight779.74 g/mol
Exact Mass778.22
IUPAC Nameantimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
SMILESCCCCC(CC)CSC(O)C(=O)[O-].CCCCC(CC)CSC(O)C(=O)[O-].CCCCC(CC)CSC(O)C(=O)[O-].[Sb+3]
InChIInChI=1S/3C10H20O3S.Sb/c3*1-3-5-6-8(4-2)7-14-10(13)9(11)12;/h3*8,10,13H,3-7H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKeySPTUOYFPVUPGER-UHFFFAOYSA-K
XLogP2.63
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.74
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)
CID 173393859
tris(2-(2-ethylhexylsulfanyl)acetate);methyltin(3+)
CID 161099104
S-(2-ethylhexyl) 2-hydroxyethanethioate
CID 57180987
tris(4-(2-ethylhexylsulfanyl)-2-hydroxybutanoate);octyltin(3+)
CID 159601171
zinc bis(3-ethylheptanoate)
CID 159696376
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
tetrakis(4-ethyl-2-sulfanyloctanoate);tin(4+)
CID 158685009
2,3-bis(2-ethylhexylsulfanyl)but-2-enedinitrile
CID 123201122
magnesium bis(2-hydroxyhexanoate)
CID 139844837
3-(heptan-3-ylsulfanylmethyl)heptane
CID 134593171
2-ethylhexanoate;tris(2-ethylhexyl)azanium
CID 87169314
2-ethylhexoxyaluminum(2+);bis(2-ethyl-3-oxobutanoate)
CID 87420793

Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)?
The IUPAC name of antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate) (CID 173393888) is antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate).
What is the SMILES notation for antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)?
The canonical SMILES for antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate) is CCCCC(CC)CSC(O)C(=O)[O-].CCCCC(CC)CSC(O)C(=O)[O-].CCCCC(CC)CSC(O)C(=O)[O-].[Sb+3].
What is the InChIKey of antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)?
The InChIKey is SPTUOYFPVUPGER-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H20O3S.Sb/c3*1-3-5-6-8(4-2)7-14-10(13)9(11)12;/h3*8,10,13H,3-7H2,1-2H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)?
antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate) has a molecular weight of 779.74 g/mol, XLogP of 2.63, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate) is sourced from PubChem (CID 173393888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).