CAS | 41263-94-9 |
Structure | |
Synonyms | 5-O-DMT-thymidine 3' |
IUPAC Name | (2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal |
Molecular Weight | 488.44 |
Molecular Formula | C18H32O15 |
Canonical SMILES | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1 |
InChI Key | HWHQUWQCBPAQQH-BWRPKUOHSA-N |
Boiling Point | 902.2ºC at 760 mmHg |
Melting Point | >203 °C |
Flash Point | 311.9ºC |
Purity | 90% |
Density | 1.548 g/ml |
pKa | 12.39±0.20 |
Appearance | Off-white solid |
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