Chlorogenic acid hemihydrate

cas: 6001-76-9 — see every product listed under this CAS number, including other names

Chlorogenic acid hemihydrate (CAS 6001-76-9) is a chemical reagent available from Chemat. Available pack sizes: 5g. Offered by: Biosynth.

brandBiosynth
catalog numberFC29901-5g
cas6001-76-9
size5g
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properties

categoryResearch Chemicals
sub-category 1Sourcing
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

Bis((1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid);hydrate (CAS 6001-76-9) is a chemical compound with the molecular formula C32H38O19 and a molecular weight of 726.6 g/mol. IUPAC name: bis((1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid);hydrate. InChIKey: KMUJVRDSAIKKTF-MTDLMOCGSA-N.

Identity
Molecular formulaC32H38O19
Molecular weight726.6 g/mol
IUPAC namebis((1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid);hydrate
InChIKeyKMUJVRDSAIKKTF-MTDLMOCGSA-N
SMILESC1[C@@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)O.C1[C@@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)O.O

Computed by PubChem (NCBI)

Synonyms: Chlorogenic acid hemihydrate, CHLOROGENICACIDHEMIHYDRATE, KMUJVRDSAIKKTF-MTDLMOCGSA-N, Chlorogenic acid hemihydrate, >=98.0% (T)

Also listed as

Chlorogenic acid hemihydrate, 95% Combi-blocks CAS 6001-76-9