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Substance Name: 4-Az-2-F-3-MeOCyclopentTTP
RN: 127753-53-1
InChIKey: CMHHWJSQNNZORY-XGEHTFHBSA-N

Molecular Formula

  • C11-H17-F-N5-O12-P3

Molecular Weight

  • 523.1983
 
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Names and Synonyms

Results Name

  • 4-Az-2-F-3-MeOCyclopentTTP

Synonyms

  • 1-(4-Azido-2-fluoro-3-methoxycyclopentyl)thymine-triphosphate
  • 4-Az-2-F-3-MeOCyclopentTTP

Systematic Name

  • Triphosphoric acid, P-((5-azido-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-fluorocyclopentyl)methyl) ester, (1alpha,2beta,3alpha,5beta)-, compd. with N,N-diethylethanamine

Registry Numbers

CAS Registry Number

  • 127753-53-1

System Generated Number

  • 0127753531

Structure Descriptors

InChI

1S/C11H17FN5O12P3/c1-5-3-17(11(19)14-10(5)18)8-2-7(15-16-13)6(9(8)12)4-27-31(23,24)29-32(25,26)28-30(20,21)22/h3,6-9H,2,4H2,1H3,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t6-,7+,8+,9+/m1/s1

InChIKey

CMHHWJSQNNZORY-XGEHTFHBSA-N

Smiles

CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]2F)C(=O)NC1=O