What is the molecular formula of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The molecular formula is C6H10O7.
What is the molecular weight of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The molecular weight is 194.14 g/mol.
What is the IUPAC name of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The IUPAC name is 2,3,4,5-tetrahydroxy-6-oxohexanoic acid.
What is the Canonical SMILES of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The Canonical SMILES is C(=O)C(C(C(C(C(=O)O)O)O)O)O.
What is the InChIKey of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The InChIKey is IAJILQKETJEXLJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
There are 5 hydrogen bond donor counts.
What is the XLogP3 value of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The XLogP3 value is -2.6.
What is the topological polar surface area of (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
The topological polar surface area is 135 Å2.
Is (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid a canonicalized compound?
Yes, it is a canonicalized compound.
How many defined atom stereocenter counts are there in (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid?
There are 0 defined atom stereocenter counts.