Isosorbide

Catalog	BBC652675
CAS	652-67-5
Structure
Synonyms	(3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
IUPAC Name	(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
Molecular Weight	146.14
Molecular Formula	C6H10O4
Canonical SMILES	C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O
InChI	InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
InChI Key	KLDXJTOLSGUMSJ-JGWLITMVSA-N
Boiling Point	175 °C at 2mmHg
Melting Point	60-63 °C (lit.)
Purity	98%
Density	1.09 g/ml
Appearance	Off-white to light yellow solid
pKa	13.17±0.40
Refractive Index	45 ° (C=5, H₂O)