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Substance Name: O(4)-Isopropylthymidine 5'-phosphate
RN: 100515-08-0
InChIKey: JFBLFQYPGSJNIC-HBNTYKKESA-N

Molecular Formula

  • C13-H23-N2-O14-P3

Molecular Weight

  • 524.247
 
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Names and Synonyms

Name of Substance

  • O(4)-Isopropylthymidine 5'-phosphate

Synonym

  • 4-IP-Ttp

Systematic Name

  • 2(1H)-Pyrimidinone, 1-(2-(deoxy-5-O-(hydroxy((hydroxyphosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-5-methyl-4-(1-methylethoxy)-

Registry Numbers

CAS Registry Number

  • 100515-08-0

System Generated Number

  • 0100515080

Structure Descriptors

InChI

1S/C13H23N2O14P3/c1-7(2)26-12-8(3)5-15(13(17)14-12)11-4-9(16)10(27-11)6-25-31(21,22)29-32(23,24)28-30(18,19)20/h5,7,9-11,16H,4,6H2,1-3H3,(H,21,22)(H,23,24)(H2,18,19,20)/t9-,10+,11+/m0/s1

InChIKey

JFBLFQYPGSJNIC-HBNTYKKESA-N

Smiles

P(O)(=O)(O[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@@H](n2cc(c(OC(C)C)nc2=O)C)C[C@@H]1O)O)O)O