Caftaric Acid

CAS	67879-58-7
Structure
Synonyms	2-Caffeoyl-L-tartaric acid
IUPAC Name	(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Molecular Weight	312.23
Molecular Formula	C13H12O9
Canonical SMILES	C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
InChI	InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
InChI Key	SWGKAHCIOQPKFW-JTNORFRNSA-N
Boiling Point	618.2±55.0 °C
Melting Point	124-125 °C
Purity	98%
Density	1.694±0.06 g/ml
pKa	2.18±0.25
Appearance	Powder