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Substance Name: Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate
RN: 137067-07-3
InChIKey: OWVSQLKZFJFIEL-BCCCVJHXSA-N

Molecular Formula

  • C43-H65-N4-O20-P3

Molecular Weight

  • 1050.9165
 
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Names and Synonyms

Name of Substance

  • Digoxigenin-11-2',3'-dideoxyuridine 5'-triphosphate

Synonyms

  • (3beta(2R,5S),5beta,12beta)-12,14-Dihydroxy-3-(2-oxo-2-((6-oxo-6-((3-(1,2,3,4-tetrahydro-2,4-dioxo-1-(tetrahydro-5-(3,5,7,7-tetrahydroxy-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl)-5-pyrimidinyl)-2-propenyl)amino)hexyl)amino)ethoxy)card-20(22)-enolide P,P',P''-trioxide
  • 12,14-Dihydroxy-3-(2-oxo-2-((6-oxo-6-((3-(1,2,3,4-tetrahydro-2,4-dioxo-1-(tetrahydro-5-(3,5,7,7-tetrahydroxy-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl)-5-pyrimidinyl)-2-propenyl)amino)hexyl)amino)ethoxy)card-20(22)-enolide P,P',P''-trioxide, (3beta(2R,5S),5beta,12beta)-
  • Dig-11-ddutp

Systematic Name

  • Card-20(22)-enolide, 12,14-dihydroxy-3-(2-oxo-2-((6-oxo-6-((3-(1,2,3,4-tetrahydro-2,4-dioxo-1-(tetrahydro-5-(3,5,7,7-tetrahydroxy-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl)-5-pyrimidinyl)-2-propenyl)amino)hexyl)amino)ethoxy)-, P,P',P''-trioxide, (3beta(2R,5S),5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 137067-07-3

System Generated Number

  • 0137067073

Structure Descriptors

InChI

1S/C43H65N4O20P3/c1-41-15-13-29(20-28(41)9-11-32-33(41)21-34(48)42(2)31(14-16-43(32,42)54)27-19-38(51)63-23-27)62-25-36(50)45-17-5-3-4-8-35(49)44-18-6-7-26-22-47(40(53)46-39(26)52)37-12-10-30(65-37)24-64-69(58,59)67-70(60,61)66-68(55,56)57/h6-7,19,22,28-34,37,48,54H,3-5,8-18,20-21,23-25H2,1-2H3,(H,44,49)(H,45,50)(H,58,59)(H,60,61)(H,46,52,53)(H2,55,56,57)/b7-6+/t28-,29+,30?,31-,32-,33+,34-,37-,41+,42+,43?/m1/s1

InChIKey

OWVSQLKZFJFIEL-BCCCVJHXSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)OCC(=O)NCCCCCC(=O)NC/C=C/c6cn(c(=O)[nH]c6=O)[C@H]7CCC(O7)COP(=O)(O)OP(=O)(O)OP(=O)(O)O