GHS
GHS Classification Search
Adenosine, N-[(2E)-4-[(O-I(2)-D-galactopyranosyl-(1a2)-O-I+/--D-galactopyranosyl-(1a3)-O-I+/--L-arabinofuranosyl-(1a3)-O-[I+/--L-arabinofuranosyl-(1a4)]-I(2)-D-galactopyranosyl)oxy]-3-methyl-2-butenyl]-
CAS Number: 171628-14-1
IUPAC name: (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[(E)-4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular formula: C43H67N5O28
Molecular weight: 1102.0
InChI: InChI=1S/C43H67N5O28/c1-13(2-3-44-36-20-37(46-11-45-36)48(12-47-20)38-27(61)23(57)14(4-49)67-38)10-66-39-31(65)34(33(19(9-54)71-39)74-40-28(62)24(58)17(7-52)69-40)75-42-30(64)32(18(8-53)72-42)73-43-35(26(60)22(56)16(6-51)70-43)76-41-29(63)25(59)21(55)15(5-50)68-41/h2,11-12,14-19,21-35,38-43,49-65H,3-10H2,1H3,(H,44,45,46)/b13-2+/t14-,15-,16-,17+,18+,19-,21+,22+,23-,24+,25+,26+,27-,28-,29-,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42+,43-/m1/s1
InChIKey: LHDGISWXLILHQA-ZMSKMCPLSA-N
SMILES: C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O
EINECS: -
Region/English Name
Hazard Class and Category
H Code
Pictograms
Signal Word
Mandatory
Details
