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Substance Name: Triadenylyl-(2'-3')-adenylyl-cytidylic acid
RN: 77354-26-8
InChIKey: RGYPCSWOHZNRAG-JJSYZGLZSA-N

Molecular Weight

  • 1879.96
 
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Names and Synonyms

Name of Substance

  • Triadenylyl-(2'-3')-adenylyl-cytidylic acid

Synonyms

  • 2-3A-C
  • 2-5A4-3'-Pcp
  • Ppp(A2'p)(3)A3'pcp

Systematic Name

  • Adenosine-5'-(tetrahydrogen triphosphate), 3'-O-phosphonocytidylyl-(5'-3')-adenylyl-(5'-2')-adenylyl-(5'-2')-adenylyl-(5'-2')-, (R-(E))-

Registry Numbers

CAS Registry Number

  • 77354-26-8

System Generated Number

  • 0077354268

Structure Descriptors

InChI

1S/C49H65N23O41P8/c50-19-1-2-68(47(81)65-19)45-32(79)48(82,5-17-26(75)31(44(104-17)71-12-63-22-35(53)57-9-60-39(22)71)107-117(91,92)111-121(99,100)113-119(95,96)109-115(86,87)88)49(105-45,6-18-25(74)28(77)42(103-18)72-13-64-23-36(54)66-46(80)67-40(23)72)14(3-15-24(73)27(76)41(101-15)69-10-61-20-33(51)55-7-58-37(20)69)4-16-30(29(78)43(102-16)70-11-62-21-34(52)56-8-59-38(21)70)106-116(89,90)110-120(97,98)112-118(93,94)108-114(83,84)85/h1-2,7-18,24-32,41-45,73-79,82H,3-6H2,(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,50,65,81)(H2,51,55,58)(H2,52,56,59)(H2,53,57,60)(H2,83,84,85)(H2,86,87,88)(H3,54,66,67,80)/t14?,15-,16-,17-,18-,24-,25-,26-,27-,28-,29-,30-,31-,32+,41-,42-,43-,44-,45-,48+,49-/m1/s1

InChIKey

RGYPCSWOHZNRAG-JJSYZGLZSA-N

Smiles

O=[P@@](O)(O[C@@H]1[C@@H]([C@@H](C[C@@]2([C@@]([C@@H](C[C@@H]3[C@@H](O[P@@](=O)(O)O[P@@](=O)(O[P@@](=O)(OP(=O)(O)O)O)O)[C@@H](O)[C@@H](O3)n3cnc4c(N)ncnc34)C[C@@H]3[C@@H](O)[C@@H](O)[C@@H](O3)n3cnc4c(N)ncnc34)(O[C@H]([C@@H]2O)n2c(=O)nc(N)cc2)C[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)n2cnc3c(N)nc(nc23)O)O)O[C@H]1n1cnc2c(N)ncnc12)O)O[P@@](=O)(O[P@@](=O)(OP(=O)(O)O)O)O