gadolinium;tris(2-hydroxybenzoic acid)

C21H18GdO9 — CID 135122115

IUPACgadolinium;tris(2-hydroxybenzoic acid)
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.[Gd]
InChIInChI=1S/3C7H6O3.Gd/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);
InChIKeyDDKQJPSDTMCVIL-UHFFFAOYSA-N
MW571.62 g/mol
LogP3.27
Rot. Bonds3

About gadolinium;tris(2-hydroxybenzoic acid)

gadolinium;tris(2-hydroxybenzoic acid) (PubChem CID 135122115) has the molecular formula C21H18GdO9 and a molecular weight of 571.62 g/mol. Its IUPAC name is gadolinium;tris(2-hydroxybenzoic acid).

Molecular Properties

Compound Namegadolinium;tris(2-hydroxybenzoic acid)
PubChem CID135122115
Molecular FormulaC21H18GdO9
Molecular Weight571.62 g/mol
Exact Mass572.02
IUPAC Namegadolinium;tris(2-hydroxybenzoic acid)
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.[Gd]
InChIInChI=1S/3C7H6O3.Gd/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);
InChIKeyDDKQJPSDTMCVIL-UHFFFAOYSA-N
XLogP3.27
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.62
LogP ≤ 53.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

CID 87183669
CID 87183669
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chromium;2-hydroxybenzoic acid
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CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
azanide;2-hydroxybenzoic acid;platinum(2+)
CID 59733827
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091

Frequently Asked Questions

What is the IUPAC name of gadolinium;tris(2-hydroxybenzoic acid)?
The IUPAC name of gadolinium;tris(2-hydroxybenzoic acid) (CID 135122115) is gadolinium;tris(2-hydroxybenzoic acid).
What is the SMILES notation for gadolinium;tris(2-hydroxybenzoic acid)?
The canonical SMILES for gadolinium;tris(2-hydroxybenzoic acid) is O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.[Gd].
What is the InChIKey of gadolinium;tris(2-hydroxybenzoic acid)?
The InChIKey is DDKQJPSDTMCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H6O3.Gd/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);.
What are the key properties of gadolinium;tris(2-hydroxybenzoic acid)?
gadolinium;tris(2-hydroxybenzoic acid) has a molecular weight of 571.62 g/mol, XLogP of 3.27, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium;tris(2-hydroxybenzoic acid) is sourced from PubChem (CID 135122115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).