| CAS Number | 4319-68-0 |
| Catalog Number | AG00DF8Z(AGN-PC-0RRND0) |
| Chemical Name | 4'-Deoxyphlorizin |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one |
| InChI | InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-3-1-2-13(24)17(15)14(25)9-6-11-4-7-12(23)8-5-11/h1-5,7-8,16,18-24,26-28H,6,9-10H2 |
| InChI Key | KOTXSQPZNZHNFC-UHFFFAOYSA-N |
| MDL Number | MFCD00016624 |
| Molecular Formula | C21H24O9 |
| Molecular Weight | 420.4099 |
| SMILES | C(C1=C(O)C=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)CCC1=CC=C(O)C=C1 |
| Synonyms | 4'-Deoxyphlorizin,
4319-68-0,
AC1N972Y,
CTK8F5897,
AKOS030242095,
3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one,
CID4405992,
CID 4405992,
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| Complexity | 551 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.414g/mol |
| Monoisotopic Mass | 420.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 157A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number