Methyl 3-[(2-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}ethyl)sulfanyl]propanoate
[CAS# 90214-99-6]

Identification

• Name: Methyl 3-[(2-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl]oxy}ethyl)sulfanyl]propanoate
• Synonyms: Carbomethoxyethylthioethyl 4-O-(4-O-[6-O-{a-D-glucopyranosyl}-a-D-glucopyranosyl]-a-D-glucopyranosyl)-b-D-glucopyranoside; C7413_SIGMA
• Molecular Formula: C₃₀H₅₂O₂₃S
• Molecular Weight: 812.79
• CAS Registry Number: 90214-99-6
• SMILES: O=C(OC)CCSCCOC4OC(C(OC3OC(C(OC2OC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O)C(O)C3O)CO)C(O)C4O)CO
• InChI: 1S/C30H52O23S/c1-45-14(34)2-4-54-5-3-46-27-23(43)19(39)25(11(7-32)49-27)53-30-24(44)20(40)26(12(8-33)50-30)52-29-22(42)18(38)16(36)13(51-29)9-47-28-21(41)17(37)15(35)10(6-31)48-28/h10-13,15-33,35-44H,2-9H2,1H3
• InChIKey: MKTPIJALRAGUNO-UHFFFAOYSA-N

Properties

• Density: 1.68g/cm³ (Cal.)
• Boiling point: 1085.222°C at 760 mmHg (Cal.)
• Flash point: 610.12°C (Cal.)