2'-Deoxy-5-[3-({[4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-3-sulfonatophenyl]sulfonyl}amino)-1-propyn-1-yl]uridine 5'-( tetrahydrogen triphosphate) | CAS No. 791570-52-0

2'-Deoxy-5-[3-({[4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-3-sulfonatophenyl]sulfonyl}amino)-1-propyn-1-yl]uridine 5'-( tetrahydrogen triphosphate)

Basic Information

CAS Number

791570-52-0

Molecular Formula

C43H46N5O20P3S2

Molecular Weight

1109.9 g/mol

AD

Basic Physical Properties

c1cc(c(cc1S(=O)(=O)NCC#Cc2cn(c(=O)[nH]c2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)S(=O)(=O)[O-])C4=c5cc6c7=[N+](CCC6)CCCc7c5Oc8c4cc9c1c8CCCN1CCC9

InChI

InChI=1S/C43H46N5O20P3S2/c49-33-21-36(65-34(33)23-64-70(55,56)68-71(57,58)67-69(52,53)54)48-22-26(42(50)45-43(48)51)6-1-13-44-72(59,60)27-11-12-28(35(20-27)73(61,62)63)37-31-18-24-7-2-14-46-16-4-9-29(38(24)46)40(31)66-41-30-10-5-17-47-15-3-8-25(39(30)47)19-32(37)41/h11-12,18-20,22,33-34,36,44,49H,2-5,7-10,13-17,21,23H2,(H5-,45,50,51,52,53,54,55,56,57,58,61,62,63)/t33-,34+,36+/m0/s1

InChIKey

IBVCSSOEYUMRLC-GABYNLOESA-N

LogP

6.10230

Synonyms & References

English

  • Texas Red-5-dUTP
  • CHROMATIDE(TM) TEXAS RED(R)-5-DUTP

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