Synonyms:
β-D-erythro-Pentofuranuronamide, C-3-amino-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-C-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-C-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-C-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-C-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-C-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-C-1,2,3-trideoxy-1-thymin-1-yl-β-D-erythro-pentofuranuronoylimino-(5→3)-1,2,3-trideoxy-1-thymin-1-yl-, thymin-1-yl = 3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl (ACI)
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
N(C(=O)[C@@H]1[C@@H](NC(=O)[C@@H]2[C@@H](NC(=O)[C@@H]3[C@@H](NC(=O)[C@H]4O[C@H](C[C@@H]4N)N5C(=O)NC(=O)C(C)=C5)C[C@@H](O3)N6C(=O)NC(=O)C(C)=C6)C[C@@H](O2)N7C(=O)NC(=O)C(C)=C7)C[C@@H](O1)N8C(=O)NC(=O)C(C)=C8)[C@@H]9[C@@H](C(N[C@@H]%10[C@@H](C(N[C@@H]%11[C@@H](C(N[C@@H]%12[C@@H](C(N)=O)O[C@H](C%12)N%13C(=O)NC(=O)C(C)=C%13)=O)O[C@H](C%11)N%14C(=O)NC(=O)C(C)=C%14)=O)O[C@H](C%10)N%15C(=O)NC(=O)C(C)=C%15)=O)O[C@H](C9)N%16C(=O)NC(=O)C(C)=C%16
InchiKey:
PBDGYGWXNKOXJN-YCJQSICLSA-N
Inchi:
InChI=1S/C80H91N25O32/c1-25-17-98(73(122)90-58(25)107)41-9-33(81)49(130-41)66(115)84-35-11-43(100-19-27(3)60(109)92-75(100)124)132-51(35)68(117)86-37-13-45(102-21-29(5)62(111)94-77(102)126)134-53(37)70(119)88-39-15-47(104-23-31(7)64(113)96-79(104)128)136-55(39)72(121)89-40-16-48(105-24-32(8)65(114)97-80(105)129)137-56(40)71(120)87-38-14-46(103-22-30(6)63(112)95-78(103)127)135-54(38)69(118)85-36-12-44(101-20-28(4)61(110)93-76(101)125)133-52(36)67(116)83-34-10-42(131-50(34)57(82)106)99-18-26(2)59(108)91-74(99)123/h17-24,33-56H,9-16,81H2,1-8H3,(H2,82,106)(H,83,116)(H,84,115)(H,85,118)(H,86,117)(H,87,120)(H,88,119)(H,89,121)(H,90,107,122)(H,91,108,123)(H,92,109,124)(H,93,110,125)(H,94,111,126)(H,95,112,127)(H,96,113,128)(H,97,114,129)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1