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Specification
The molecular formula of Phlorizin hydrate is C21H26O11.
The molecular weight of Phlorizin hydrate is 454.4 g/mol.
The IUPAC name of Phlorizin hydrate is 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one; hydrate.
The InChI of Phlorizin hydrate is InChI=1S/C21H24O10.H2O/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10;/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2;1H2/t16-,18-,19+,20-,21-;/m1./s1.
The Canonical SMILES of Phlorizin hydrate is C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O.O.
The CAS number of Phlorizin hydrate is 7061-54-3.
Phlorizin hydrate has 8 hydrogen bond donor counts.
Phlorizin hydrate has 11 hydrogen bond acceptor counts.
Phlorizin hydrate has 7 rotatable bond counts.
Phlorizin hydrate has 5 defined atom stereocenter counts.