antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride

C9H12Cl3O7Sb — CID 173014999

IUPACantimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride
SMILESC#CCO.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[Cl-].[Cl-].[Cl-].[Sb+3]
InChIInChI=1S/C6H8O6.C3H4O.3ClH.Sb/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3-4;;;;/h2,5,7-10H,1H2;1,4H,3H2;3*1H;/q;;;;;+3/p-3/t2-,5-;;;;;/m1...../s1
InChIKeyJSPRLIIXEQSPAQ-XKUQXVIGSA-K
MW460.31 g/mol
LogP-11.16
Rot. Bonds2

About antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride

antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride (PubChem CID 173014999) has the molecular formula C9H12Cl3O7Sb and a molecular weight of 460.31 g/mol. Its IUPAC name is antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride.

Molecular Properties

Compound Nameantimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride
PubChem CID173014999
Molecular FormulaC9H12Cl3O7Sb
Molecular Weight460.31 g/mol
Exact Mass457.87
IUPAC Nameantimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride
SMILESC#CCO.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[Cl-].[Cl-].[Cl-].[Sb+3]
InChIInChI=1S/C6H8O6.C3H4O.3ClH.Sb/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3-4;;;;/h2,5,7-10H,1H2;1,4H,3H2;3*1H;/q;;;;;+3/p-3/t2-,5-;;;;;/m1...../s1
InChIKeyJSPRLIIXEQSPAQ-XKUQXVIGSA-K
XLogP-11.16
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.31
LogP ≤ 5-11.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride?
The IUPAC name of antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride (CID 173014999) is antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride.
What is the SMILES notation for antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride?
The canonical SMILES for antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride is C#CCO.O=C1O[C@H]([C@H](O)CO)C(O)=C1O.[Cl-].[Cl-].[Cl-].[Sb+3].
What is the InChIKey of antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride?
The InChIKey is JSPRLIIXEQSPAQ-XKUQXVIGSA-K. The full InChI is InChI=1S/C6H8O6.C3H4O.3ClH.Sb/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3-4;;;;/h2,5,7-10H,1H2;1,4H,3H2;3*1H;/q;;;;;+3/p-3/t2-,5-;;;;;/m1...../s1.
What are the key properties of antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride?
antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride has a molecular weight of 460.31 g/mol, XLogP of -11.16, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride is sourced from PubChem (CID 173014999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).