3,4-O-(1-Carboxyethylidene)-1-C-(2,3,4-trihydroxybutyl)-beta-D-gulopyranose
[CAS# 87810-47-7]

Identification

• Name: 3,4-O-(1-Carboxyethylidene)-1-C-(2,3,4-trihydroxybutyl)-beta-D-gulopyranose
• Synonyms: 1-Cgpe; 4-O-(3,4-O-(1-Carboxyethylidene)-β-galactopyranosyl)erithritol; β-D-Galactopyranoside, 2,3,4-trihydroxybutyl 3,4-O-(1-carboxyethylidene)-, (1(2R-(2R*,3S*)))-
• Molecular Formula: C₁₃H₂₂O₁₁
• Molecular Weight: 354.31
• CAS Registry Number: 87810-47-7
• SMILES: O=C(O)C1(O[C@H]2[C@H](O[C@@](O)([C@H](O)[C@@H]2O1)CC(O)C(O)CO)CO)C
• InChI: 1S/C13H22O11/c1-12(11(19)20)23-8-7(4-15)22-13(21,10(18)9(8)24-12)2-5(16)6(17)3-14/h5-10,14-18,21H,2-4H2,1H3,(H,19,20)/t5?,6?,7-,8+,9-,10-,12?,13-/m1/s1
• InChIKey: KLYBQOKHNNDOBN-WOGKDIAQSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 754.015°C at 760 mmHg (Cal.)
• Flash point: 280.679°C (Cal.)