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Substance Name: KN 3
RN: 39848-20-9
InChIKey: WQGGKSUUUHJGPM-WJWGPLDTSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H16-N4-O6

Molecular Weight

  • 348.313
 
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Names and Synonyms

Results Name

  • KN 3

Synonyms

  • 7-(3'-O-Acetyl 4',6'-dideoxy-beta-L-glycero-hex-3'-enopyranosulosyl)theophylline
  • KN 3

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-(acetyloxy)-3,6-dihydro-6-methyl-3-oxo-2H-pyran-2-yl)-1,3-dimethyl-, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 39848-20-9

System Generated Number

  • 0039848209

Structure Descriptors

InChI

1S/C15H16N4O6/c1-7-5-9(25-8(2)20)11(21)14(24-7)19-6-16-12-10(19)13(22)18(4)15(23)17(12)3/h5-7,14H,1-4H3/t7-,14-/m0/s1

InChIKey

WQGGKSUUUHJGPM-WJWGPLDTSA-N

Smiles

n1(cnc2n(c(n(c(c12)=O)C)=O)C)[C@@H]1C(C(=C[C@@H](O1)C)OC(=O)C)=O