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Substance Name: 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-
RN: 133551-49-2
InChIKey: ARNVYVLLJPJGJU-YVVQKPKDSA-N

Molecular Formula

  • C30-H32-N5-O9-P

Molecular Weight

  • 637.583
 
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Names and Synonyms

  • 5'-Adenylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2alpha,3alpha,4beta))-

Registry Numbers

CAS Registry Number

  • 133551-49-2

System Generated Number

  • 0133551492

Structure Descriptors

InChI

1S/C30H32N5O9P/c1-13-15-5-3-4-6-16(15)14(2)22-17(13)7-8-18-23(22)24(27(38)28(39)26(18)37)34-29-25-30(32-11-31-29)35(12-33-25)21-9-19(36)20(44-21)10-43-45(40,41)42/h3-8,11-12,19-21,24,26-28,36-39H,9-10H2,1-2H3,(H,31,32,34)(H2,40,41,42)/t19?,20?,21?,24-,26-,27-,28+/m0/s1

InChIKey

ARNVYVLLJPJGJU-YVVQKPKDSA-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(c3C)cccc1)C