52691-24-4 Purity
98%+
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Specification
The molecular formula of D-(+)-Digitoxose is C6H12O4.
The molecular weight of D-(+)-Digitoxose is 148.16 g/mol.
The IUPAC name of D-(+)-Digitoxose is (3S,4R,5R)-3,4,5-trihydroxyhexanal.
The InChI of D-(+)-Digitoxose is InChI=1S/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3/t4-,5+,6-/m1/s1.
The InChIKey of D-(+)-Digitoxose is JWFRNGYBHLBCMB-NGJCXOISSA-N.
The canonical SMILES of D-(+)-Digitoxose is CC(C(C(CC=O)O)O)O.
D-(+)-Digitoxose has 3 hydrogen bond donor counts.
D-(+)-Digitoxose has 4 hydrogen bond acceptor counts.
The topological polar surface area of D-(+)-Digitoxose is 77.8 ?2.
D-(+)-Digitoxose has 3 defined atom stereocenter counts.