Benzyl D-glucuronate

Catalog	BBC135970308
CAS	135970-30-8
Structure
Synonyms	D-Glucuronic acid phenylmethyl ester
IUPAC Name	Benzyl (3S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
Molecular Weight	284.26
Molecular Formula	C13H16O7
Canonical SMILES	C1=CC=C(C=C1)COC(=O)C2[C@H](C([C@@H](C(O2)O)O)O)O
InChI	InChI=1S/C13H16O7/c14-8-9(15)11(20-12(17)10(8)16)13(18)19-6-7-4-2-1-3-5-7/h1-5,8-12,14-17H,6H2/t8?,9-,10-,11?,12?/m0/s1
InChI Key	MYEUFSLWFIOAGY-SJZSRGDHSA-N
Boiling Point	566.5±50.0 °C
Melting Point	104-108 °C
Purity	98%
Density	1.442±0.06 g/ml
Appearance	White to off-white solid
pKa	12.04±0.20
Solubility in Water	Slightly