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Substance Name: 3-(5-((N-Biotinyl-6-aminocaproyl)amino)pentyl)-1-(2-deoxyerythropentofuranosyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine-5'-triphosphate
RN: 137823-47-3
InChIKey: IAOHLYSIIUCHRD-AWCCZRSHSA-N

Note

  • A dATP analog readily incorporated into DNA probes by nick translation.

Molecular Formula

  • C31-H52-N9-O15-P3-S

Molecular Weight

  • 915.788
 
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Names and Synonyms

Name of Substance

  • 3-(5-((N-Biotinyl-6-aminocaproyl)amino)pentyl)-1-(2-deoxyerythropentofuranosyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine-5'-triphosphate

Synonym

  • Bio-13-dapptp

Systematic Name

  • Triphosphoric acid, 5'-ester with N-(6-((5-(4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)pentyl)amino)-6-oxohexyl)hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide, (3aS-(3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 137823-47-3

System Generated Number

  • 0137823473

Structure Descriptors

InChI

1S/C31H52N9O15P3S/c32-29-27-19(39-40(30(27)36-18-35-29)26-15-21(41)22(53-26)16-52-57(48,49)55-58(50,51)54-56(45,46)47)9-3-1-7-13-33-24(42)11-4-2-8-14-34-25(43)12-6-5-10-23-28-20(17-59-23)37-31(44)38-28/h18,20-23,26,28,41H,1-17H2,(H,33,42)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,37,38,44)(H2,45,46,47)/t20-,21-,22+,23-,26?,28-/m0/s1

InChIKey

IAOHLYSIIUCHRD-AWCCZRSHSA-N

Smiles

c1nc2c(c(n1)N)c(nn2[C@@H]1C[C@H](O)[C@H](O1)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)CCCCCNC(CCCCCNC(CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1)=O)=O