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Substance Name: 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-
RN: 133551-47-0
InChIKey: UDCYUSDDQBLFLF-RHOUQQAOSA-N

Molecular Formula

  • C29-H30-N5-O9-P

Molecular Weight

  • 623.556
 
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Names and Synonyms

  • 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7-methylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-

Registry Numbers

CAS Registry Number

  • 133551-47-0

System Generated Number

  • 0133551470

Structure Descriptors

InChI

1S/C29H30N5O9P/c1-13-15-5-3-2-4-14(15)8-18-16(13)6-7-17-22(18)23(26(37)27(38)25(17)36)33-28-24-29(31-11-30-28)34(12-32-24)21-9-19(35)20(43-21)10-42-44(39,40)41/h2-8,11-12,19-21,23,25-27,35-38H,9-10H2,1H3,(H,30,31,33)(H2,39,40,41)/t19?,20?,21?,23-,25+,26+,27-/m0/s1

InChIKey

UDCYUSDDQBLFLF-RHOUQQAOSA-N

Smiles

n1([C@@H]2O[C@@H]([C@@H](O)C2)COP(=O)(O)O)cnc2c1ncnc2N[C@H]1c2c3c(ccc2[C@H]([C@@H]([C@@H]1O)O)O)c(c1c(c3)cccc1)C