2-O-(2-Hydroxypropyl)cyclomaltoheptaose
[CAS# 130981-23-6]

Identification

• Name: 2-O-(2-Hydroxypropyl)cyclomaltoheptaose
• Synonyms: 2-O-(2-Hydroxypropyl)Cyclomaltoheptaose; Beta-Cyclodextrin, 2A-O-(2-Hydroxypropyl)-, (S)-
• Molecular Formula: C₄₅H₇₆O₃₆
• Molecular Weight: 1193.07
• CAS Registry Number: 130981-23-6
• SMILES: [C@@H]12O[C@H]8O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@@H](O[C@@H]1CO)[C@H](OC[C@@H](O)C)[C@H]2O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]8O)CO
• InChI: 1S/C45H76O36/c1-10(53)9-67-38-30(66)37-17(8-52)74-45(38)81-36-16(7-51)73-43(29(65)23(36)59)79-34-14(5-49)71-41(27(63)21(34)57)77-32-12(3-47)69-39(25(61)19(32)55)75-31-11(2-46)68-40(24(60)18(31)54)76-33-13(4-48)70-42(26(62)20(33)56)78-35-15(6-50)72-44(80-37)28(64)22(35)58/h10-66H,2-9H2,1H3/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+/m0/s1
• InChIKey: AWDODIOBYTUSHB-JUFQYABCSA-N

Properties

• Density: 1.81g/cm³ (Cal.)
• Boiling point: 1529.725°C at 760 mmHg (Cal.)
• Flash point: 878.946°C (Cal.)