705260-08-8 Purity
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Specification
The PubChem CID for Phlorizin dihydrate is 9912668.
The molecular formula of Phlorizin dihydrate is C21H28O12.
The molecular weight of Phlorizin dihydrate is 472.4 g/mol.
The IUPAC name of Phlorizin dihydrate 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;dihydrate.
The InChI of Phlorizin dihydrate is InChI=1S/C21H24O10.2H2O/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;2*1H2/t16-,18-,19+,20-,21-;;/m1../s1.
The Canonical SMILES of Phlorizin dihydrate is C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O.O.O.
The CAS number of Phlorizin dihydrate is 7061-54-3.
The European Community (EC) Number of Phlorizin dihydrate is 628-113-6.
The hydrogen bond donor count of Phlorizin dihydrate is 9.
Phlorizin dihydrate has 5 defined atom stereocenter counts.