What is the molecular formula of the compound?
The molecular formula of the compound is C18H27NO7.
What is the molecular weight of the compound?
The molecular weight of the compound is 369.4 g/mol.
What are the synonyms of the compound?
The synonyms of the compound are 39031-70-4, Phenyl alpha-L-iduronide cyclohexylammonium salt, cyclohexanamine, (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid, Phenyl alpha-iduronide cyclohexylammonium salt, PHENYLALPHA-L-IDURONIDECYCLOHEXYLAMMONIUMSALT.
What is the parent compound of the compound?
The parent compound of the compound is CID 193782 (alpha-L-Idopyranosiduronic acid, phenyl).
What are the component compounds of the compound?
The component compounds of the compound are CID 7965 (Cyclohexylamine) and CID 193782 (alpha-L-Idopyranosiduronic acid, phenyl).
When was the compound created and modified?
The compound was created on May 17, 2013, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is cyclohexanamine;(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation of the compound is C1CCC(CC1)N.C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O.
What is the InChIKey of the compound?
The InChIKey of the compound is YESLUVIFWFRPII-HNXNNCCBSA-N.
What are the computed properties of the compound?
The computed properties of the compound include molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.
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