technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)

C12H16O16Tc — CID 159200130

IUPACtechnetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
SMILESO=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Tc+4]
InChIInChI=1S/2C6H10O8.Tc/c2*7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h2*1-4,7-10H,(H,11,12)(H,13,14);/q;;+4/p-4/t2*1-,2-,3-,4+;/m00./s1
InChIKeyKPEIQXMVJTXIKL-OQPYWUJXSA-J
MW514.24 g/mol
LogP-12.14
Rot. Bonds10

About technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)

technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate) (PubChem CID 159200130) has the molecular formula C12H16O16Tc and a molecular weight of 514.24 g/mol. Its IUPAC name is technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate).

Molecular Properties

Compound Nametechnetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
PubChem CID159200130
Molecular FormulaC12H16O16Tc
Molecular Weight514.24 g/mol
Exact Mass512.95
IUPAC Nametechnetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
SMILESO=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Tc+4]
InChIInChI=1S/2C6H10O8.Tc/c2*7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h2*1-4,7-10H,(H,11,12)(H,13,14);/q;;+4/p-4/t2*1-,2-,3-,4+;/m00./s1
InChIKeyKPEIQXMVJTXIKL-OQPYWUJXSA-J
XLogP-12.14
TPSA322.36 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500514.24
LogP ≤ 5-12.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Related Compounds

(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11988282
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 5288393
calcium (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 54675058
bis(iron(3+));tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate)
CID 11377634
iron(2+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11701673
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
diazanium;tris((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate);zirconium(4+)
CID 173362529
potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
CID 19073829
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
2,3-dihydroxybutanedioate
CID 19608871
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
CID 101160606

Frequently Asked Questions

What is the IUPAC name of technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)?
The IUPAC name of technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate) (CID 159200130) is technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate).
What is the SMILES notation for technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)?
The canonical SMILES for technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate) is O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Tc+4].
What is the InChIKey of technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)?
The InChIKey is KPEIQXMVJTXIKL-OQPYWUJXSA-J. The full InChI is InChI=1S/2C6H10O8.Tc/c2*7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h2*1-4,7-10H,(H,11,12)(H,13,14);/q;;+4/p-4/t2*1-,2-,3-,4+;/m00./s1.
What are the key properties of technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)?
technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate) has a molecular weight of 514.24 g/mol, XLogP of -12.14, 10 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate) is sourced from PubChem (CID 159200130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).