CAS
94231-87-5 Purity
96%
94231-87-5 Purity
96%
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Specification
The molecular formula is C9H17NO8.
It was created on August 20, 2009.
The molecular weight is 267.23 g/mol.
The IUPAC name is (2S)-2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propanoic acid.
The canonical SMILES is CC(C(=O)O)NC(=O)C(C(C(C(CO)O)O)O)O.
It has 7 hydrogen bond donor counts.
The XLogP3-AA value is -3.6.
Yes, it has 5 defined atom stereocenter counts.
The InChIKey is NBXXOOCDYRGSOJ-CXNFULCWSA-N.
Yes, it is considered a canonicalized compound in PubChem.