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Substance Name: Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine
RN: 4042-12-0
InChIKey: FBZOCUXKRQGNFK-HKIDEBSPSA-N

Molecular Formula

  • C40-H49-N20-O22-P3

Molecular Weight

  • 1254.87
 
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Names and Synonyms

Name of Substance

  • Adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine

Synonym

  • (AP)3A

Systematic Name

  • Adenosine, adenylyl-(3'-5')-adenylyl-(3'-5')-adenylyl-(3'-5')-

Registry Numbers

CAS Registry Number

  • 4042-12-0

System Generated Number

  • 0004042120

Structure Descriptors

InChI

1S/C40H49N20O22P3/c41-29-17-33(49-5-45-29)57(9-53-17)37-22(63)21(62)14(77-37)2-73-83(67,68)81-27-16(79-39(24(27)65)59-11-55-19-31(43)47-7-51-35(19)59)4-75-85(71,72)82-28-15(78-40(25(28)66)60-12-56-20-32(44)48-8-52-36(20)60)3-74-84(69,70)80-26-13(1-61)76-38(23(26)64)58-10-54-18-30(42)46-6-50-34(18)58/h5-16,21-28,37-40,61-66H,1-4H2,(H,67,68)(H,69,70)(H,71,72)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,44,48,52)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,37-,38-,39-,40-/m1/s1

InChIKey

FBZOCUXKRQGNFK-HKIDEBSPSA-N

Smiles

n1c2c(c(N)nc1)ncn2[C@H]1[C@@H]([C@H](O[P@@](OC[C@H]2O[C@H]([C@@H]([C@@H]2O[P@@](OC[C@H]2O[C@H]([C@@H](O)[C@@H]2O[P@@](=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc34)[C@@H](O)[C@@H]2O)O)n2cnc3c(ncnc23)N)(O)=O)O)n2cnc3c(ncnc23)N)(O)=O)[C@H](CO)O1)O