Product Information
Chemical Formula: | C42H71NO34 |
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Linear Formula: | C42H70O34NH |
Molecular Weight: | 1134 |
Synonyms: | 6-Monodeoxy-6-Monoamino-Beta-Cyclodextrine; Mono-6-Amino-6-Deoxy-Beta-Cyclodextrin; 6-Amino-6-Deoxy -Cyclodextrin; Mono-6-Amino-Mono-6-Deoxy-β-Cd; Mono-(6-Amino-6-Deoxy)-β-Cyclodextrin; Mono-(6-Amino-6-Deoxy)-2-Cyclodextrin |
MDL No.: | MFCD03452964 |
EINECS / EC No.: | N/A |
Pubchem CID: | 9854967 |
IUPAC Name: | (1S,3R,5R,6S,8R,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,48R,49R)-5-(aminomethyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol |
Standard InchI: | InChI=1S/C42H71NO34/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/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 |
InchI Key: | OZBFLQITCMCIOY-FOUAGVGXSA-N |
SMILES: | C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)N |
Appearance: | white to off-white solid powder or crystals |
Melting Point: | N/A |
Boiling Point: | 1527.8±60.0 °C at 760 mmHg |
Density (Theoretical): | N/A |
Solubility: | Soluble in water, DMF, DMSO.Insoluble in acetone, methanol |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Transportation Information: | N/A |
GHS Pictograms: |