Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester
CAS Registry Number®
294178-47-5
CAS Name
Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) esterMolecular Formula
C16H27N3O13P2Molecular Mass
531.35Cite this Page
Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=294178-47-5 (retrieved ) (CAS RN: 294178-47-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-14(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)9(17)3-8(2)29-15/h5,8-13,15,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-,15-/m1/s1
InChIKey
InChIKey=MXOBHOLDACULIR-YIQYKESKSA-N
SMILES
O=C1N([C@@H]2O[C@H](COP(OP(O[C@@H]3[C@H](O)[C@@H](N)C[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)CC(N)C3O)C(O)C2
Other Names for this Substance
- Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester
Deleted or Replaced CAS Registry Numbers
664998-83-8, 1662666-48-9