(2aS,3aS)-3a-amino-3a-deoxy-alpha-Cyclodextrin
[CAS# 121916-94-7]

Identification

• Classification: Chemical reagent >> Organic reagent >> Cyclodextrin
• Name: (2aS,3aS)-3a-amino-3a-deoxy-alpha-Cyclodextrin
• Synonyms: 3A-Amino-3A-deoxy-(2AS,3AS)-α-cyclodextrin Hydrate
• Molecular Formula: C₃₆H₆₁NO₂₉
• Molecular Weight: 971.86
• CAS Registry Number: 121916-94-7
• SMILES: C([C@@H]1C2[C@H]([C@@H](C(O1)OC3[C@H](OC([C@@H]([C@H]3O)O)OC4[C@H](OC([C@@H]([C@H]4O)O)OC5[C@H](OC([C@@H]([C@H]5O)O)OC6[C@H](OC([C@@H]([C@H]6O)O)OC7[C@H](OC(O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)N)O
• InChI: 1S/C36H61NO29/c37-13-14(44)31-55-7(1-38)25(13)61-32-20(50)15(45)27(9(3-40)56-32)63-34-22(52)17(47)29(11(5-42)58-34)65-36-24(54)19(49)30(12(6-43)60-36)66-35-23(53)18(48)28(10(4-41)59-35)64-33-21(51)16(46)26(62-31)8(2-39)57-33/h7-36,38-54H,1-6,37H2/t7-,8-,9-,10-,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?/m1/s1
• InChIKey: TXBHONGFOHSVMN-LRGPBYCASA-N

Properties

• Density: 1.594g/cm³ (Cal.)
• Boiling point: 1390.345°C at 760 mmHg (Cal.)
• Flash point: 794.652°C (Cal.)
• Refractive index: 1.585 (Cal.)