(1S,3R,5R,6S,8S,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48S,49S)-48-Amino-5,10,15,20,25,30,35-Heptakis(Hydroxymethyl)-2,4,7,9,12 ,14,17,19,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]Nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,49-Tridecol
[CAS# 117194-77-1]

Identification

• Classification: Biochemical >> Carbohydrate >> Oligosaccharide
• Name: (1S,3R,5R,6S,8S,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48S,49S)-48-Amino-5,10,15,20,25,30,35-Heptakis(Hydroxymethyl)-2,4,7,9,12 ,14,17,19,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]Nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,49-Tridecol
• Synonyms: 3A-Amino-3A-deoxy-(2AS,3AS)-β-cyclodextrin Hydrate
• Molecular Formula: C₄₂H₇₁NO₃₄
• Molecular Weight: 1134.00
• CAS Registry Number: 117194-77-1
• SMILES: O1[C@H](CO)[C@H]2O[C@H]8O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@@H](N)[C@@H]7O)[C@H](O)[C@H]8O
• InChI: 1S/C42H71NO34/c43-15-16(51)36-64-8(1-44)29(15)71-37-23(58)17(52)31(10(3-46)65-37)73-39-25(60)19(54)33(12(5-48)67-39)75-41-27(62)21(56)35(14(7-50)69-41)77-42-28(63)22(57)34(13(6-49)70-42)76-40-26(61)20(55)32(11(4-47)68-40)74-38-24(59)18(53)30(72-36)9(2-45)66-38/h8-42,44-63H,1-7,43H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1
• InChIKey: OZLVLKFBPJMRCM-FUFZOPRGSA-N

Properties

• Density: 1.599g/cm³ (Cal.)
• Boiling point: 1522.52°C at 760 mmHg (Cal.)
• Flash point: 874.588°C (Cal.)
• Refractive index: 1.586 (Cal.)