tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)

C28H20O20Sn — CID 175913194

IUPACtetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.[Sn+4]
InChIInChI=1S/4C7H6O5.Sn/c4*8-4-1-3(7(11)12)2-5(9)6(4)10;/h4*1-2,8-10H,(H,11,12);/q;;;;+4/p-4
InChIKeyZFFDZOULGBAPHA-UHFFFAOYSA-J
MW795.16 g/mol
LogP-0.90
Rot. Bonds4

About tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)

tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+) (PubChem CID 175913194) has the molecular formula C28H20O20Sn and a molecular weight of 795.16 g/mol. Its IUPAC name is tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+).

Molecular Properties

Compound Nametetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
PubChem CID175913194
Molecular FormulaC28H20O20Sn
Molecular Weight795.16 g/mol
Exact Mass795.96
IUPAC Nametetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.[Sn+4]
InChIInChI=1S/4C7H6O5.Sn/c4*8-4-1-3(7(11)12)2-5(9)6(4)10;/h4*1-2,8-10H,(H,11,12);/q;;;;+4/p-4
InChIKeyZFFDZOULGBAPHA-UHFFFAOYSA-J
XLogP-0.90
TPSA403.28 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

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Related Compounds

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bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
CID 175210164
bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
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4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
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4-carboxy-2,6-dihydroxyphenolate;tetraethylazanium
CID 54723196
4-carboxy-2,6-dihydroxyphenolate;piperazin-1-ium
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CID 370
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CID 102269214
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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)?
The IUPAC name of tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+) (CID 175913194) is tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+).
What is the SMILES notation for tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)?
The canonical SMILES for tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+) is O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.O=C(O)c1cc(O)c([O-])c(O)c1.[Sn+4].
What is the InChIKey of tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)?
The InChIKey is ZFFDZOULGBAPHA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O5.Sn/c4*8-4-1-3(7(11)12)2-5(9)6(4)10;/h4*1-2,8-10H,(H,11,12);/q;;;;+4/p-4.
What are the key properties of tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)?
tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+) has a molecular weight of 795.16 g/mol, XLogP of -0.90, 4 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+) is sourced from PubChem (CID 175913194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).