Thymidine 5′-(trihydrogen diphosphate), P′-(2,6-dideoxy-3-O-methyl-β-L-arabino-hexopyranosyl) ester

CAS Registry Number®

130832-66-5
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CAS Name

Thymidine 5′-(trihydrogen diphosphate), P′-(2,6-dideoxy-3-O-methyl-β-L-arabino-hexopyranosyl) ester

Molecular Formula

C17H28N2O14P2

Molecular Mass

546.36

Cite this Page

Thymidine 5′-(trihydrogen diphosphate), P′-(2,6-dideoxy-3-O-methyl-β-L-arabino-hexopyranosyl) ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130832-66-5 (retrieved 2024-09-19) (CAS RN: 130832-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H28N2O14P2/c1-8-6-19(17(23)18-16(8)22)13-4-10(20)12(31-13)7-29-34(24,25)33-35(26,27)32-14-5-11(28-3)15(21)9(2)30-14/h6,9-15,20-21H,4-5,7H2,1-3H3,(H,24,25)(H,26,27)(H,18,22,23)/t9-,10-,11-,12+,13+,14+,15-/m0/s1

InChIKey

InChIKey=KXTSABXLDGUXAE-BNESJGNISA-N

SMILES

O=C1N([C@@H]2O[C@H](COP(OP(O[C@@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)(=O)O)(=O)O)[C@@H](O)C2)C=C(C)C(=O)N1

Canonical SMILES

O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)C(O)C(OC)C3)C(O)C2

Other Names for this Substance

  • Thymidine 5′-(trihydrogen diphosphate), P′-(2,6-dideoxy-3-O-methyl-β-L-arabino-hexopyranosyl) ester